Add xyz files to be used in future tests (#164)

tools/generate-unit-test-expect/IRC/IRC07/IRC07-09.xyz

+19
+ comment:c
+C 1.2467951 0.8970240 0.0153530
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+C -0.5203500 -1.2832810 -0.7039620
+C 0.9841530 -1.8605180 0.0061710
+C 2.0989220 -1.2339470 -0.7146070
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+H 2.6923871 -1.8367890 -1.3992550
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+H -0.6991330 0.7409540 -1.6001470
+H 0.8858250 -1.5335650 1.0463181
+H 1.0871950 0.6065960 1.0539089
+H 2.8541541 0.6059790 -1.4518141
+H 1.2652140 1.9785520 -0.1166150
+H -1.2919520 -1.7666490 -0.0995320
+C -1.4015410 0.8529800 0.4123420
+O -1.8276989 1.9864390 0.3971210
+O -1.5039901 0.0727730 1.5223540
+H -1.9625660 0.6229480 2.1777980

tools/generate-unit-test-expect/IRC/IRC07/IRC07-10.xyz

+19
+ comment:c
+C 1.2260230 0.8911480 0.0085270
+C -0.5875290 0.2153210 -0.6483770
+C -0.5036420 -1.2884650 -0.6959660
+C 0.9676550 -1.8557220 -0.0006450
+C 2.0981369 -1.2324600 -0.7168620
+C 2.1984351 0.1090810 -0.7392420
+H 0.9840960 -2.9485950 -0.0343460
+H 2.7023630 -1.8399709 -1.3877610
+H -0.5497510 -1.6667230 -1.7207760
+H -0.7008190 0.7365540 -1.5969300
+H 0.8892970 -1.5388330 1.0452160
+H 1.0950670 0.6119520 1.0552850
+H 2.8660870 0.6079240 -1.4388601
+H 1.2500100 1.9731430 -0.1232570
+H -1.2928720 -1.7606670 -0.1043720
+C -1.3998060 0.8537960 0.4137380
+O -1.8285201 1.9859980 0.3966910
+O -1.5044870 0.0728990 1.5220970
+H -1.9648950 0.6216870 2.1775279

tools/generate-unit-test-expect/IRC/IRC07/IRC07-11.xyz

+19
+ comment:c
+C 1.2044870 0.8848510 0.0009790
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+C -0.4880200 -1.2925210 -0.6884020
+C 0.9526600 -1.8515180 -0.0071000
+C 2.0970299 -1.2313840 -0.7190490
+C 2.1974750 0.1070800 -0.7408200
+H 0.9744890 -2.9446721 -0.0405340
+H 2.7124541 -1.8434800 -1.3753850
+H -0.5423630 -1.6625460 -1.7164440
+H -0.6996710 0.7324930 -1.5926330
+H 0.8916800 -1.5439050 1.0434639
+H 1.1011990 0.6173210 1.0550430
+H 2.8780119 0.6102060 -1.4247030
+H 1.2335260 1.9672720 -0.1309360
+H -1.2923729 -1.7546680 -0.1083810
+C -1.3977240 0.8546590 0.4152970
+O -1.8293900 1.9854320 0.3961690
+O -1.5050700 0.0730290 1.5218641
+H -1.9678060 0.6201660 2.1771441

tools/generate-unit-test-expect/IRC/IRC07/IRC07-12.xyz

+19
+ comment:c
+C 1.1822490 0.8781280 -0.0072970
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+C -0.4736460 -1.2953449 -0.6813750
+C 0.9393770 -1.8480260 -0.0130870
+C 2.0956681 -1.2306700 -0.7211520
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+H 0.9647790 -2.9413390 -0.0472380
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+H 0.8932500 -1.5488340 1.0413140
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+O -1.8303150 1.9847291 0.3955420
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+H -1.9714170 0.6183690 2.1765709

tools/generate-unit-test-expect/IRC/IRC07/IRC07-13.xyz

+19
+ comment:c
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+C 0.9279510 -1.8453670 -0.0185220
+C 2.0941310 -1.2302810 -0.7231500
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+H 2.7329681 -1.8510031 -1.3481580
+H -0.5255690 -1.6519450 -1.7084720
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+H 0.8943320 -1.5537670 1.0390069
+H 1.1077451 0.6277420 1.0498170
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+O -1.8313000 1.9838769 0.3947930
+O -1.5065150 0.0732620 1.5214990
+H -1.9758570 0.6162790 2.1757159

tools/generate-unit-test-expect/IRC/IRC07/IRC07-14.xyz

+19
+ comment:c
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+H -1.9812731 0.6138700 2.1744730

tools/generate-unit-test-expect/IRC/IRC07/IRC07-15.xyz

+19
+ comment:c
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+C 0.9106940 -1.8429190 -0.0276870
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+H 0.9375080 -2.9361610 -0.0695810
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+H 0.8963850 -1.5646670 1.0346510
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+H 2.9205580 0.6225010 -1.3569820
+H 1.1551760 1.9392920 -0.1728790
+H -1.2831810 -1.7273760 -0.1174520
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+O -1.8334820 1.9816570 0.3928340
+O -1.5083660 0.0733980 1.5212960
+H -1.9878720 0.6110950 2.1727071

tools/generate-unit-test-expect/IRC/IRC07/IRC07-16.xyz

+19
+ comment:c
+C 1.0896690 0.8481540 -0.0464080
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+C 0.9046440 -1.8432820 -0.0315670
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+H 0.8980090 -1.5714411 1.0328161
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+H 1.1330510 1.9314650 -0.1864640
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+H -1.9959810 0.6078600 2.1702220

tools/generate-unit-test-expect/IRC/IRC07/IRC07-17.xyz

+19
+ comment:c
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+C -0.4202090 -1.2889540 -0.6547190
+C 0.9000910 -1.8449000 -0.0352100
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+H 0.9215850 -2.9376969 -0.0877710
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+H 0.9004920 -1.5800790 1.0312570
+H 1.0990400 0.6492150 1.0240800
+H 2.9357531 0.6305270 -1.3160160
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+O -1.5107620 0.0733790 1.5212960
+H -2.0062089 0.6039700 2.1666970

tools/generate-unit-test-expect/IRC/IRC07/IRC07-18.xyz

+19
+ comment:c
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+C 0.8969180 -1.8482020 -0.0389560
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+H 0.9043280 -1.5922860 1.0299590
+H 1.0940800 0.6566570 1.0156440
+H 2.9412539 0.6348950 -1.2926570
+H 1.0874820 1.9161270 -0.2194040
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+H -2.0198040 0.5989950 2.1615260

tools/generate-unit-test-expect/IRC/IRC07/IRC07-19.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-20.xyz

+19
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+H -2.0664871 0.5824030 2.1430490

tools/generate-unit-test-expect/IRC/IRC07/IRC07-21.xyz

+19
+ comment:c
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+C -0.3884760 -1.2552890 -0.6355040
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+H 0.8847030 -2.9645531 -0.1952960
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-22.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-23.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-24.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-25.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-26.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-27.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC07/IRC07-28.xyz

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