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

tools/generate-unit-test-expect/IRC/IRC02/IRC02-13.xyz

+17
+ comment:c
+C 0.1470270 0.9232650 0.3876960
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-14.xyz

+17
+ comment:c
+C 0.1300210 0.9176950 0.3818110
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+C 1.2047950 -1.1190040 -0.3592840
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+H -2.1840539 0.6805630 0.4469910
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-15.xyz

+17
+ comment:c
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+C 1.2019020 -1.1187940 -0.3609680
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-16.xyz

+17
+ comment:c
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+C 0.0605590 -1.8033600 0.3510460
+C 1.1985210 -1.1189220 -0.3626030
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-17.xyz

+17
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-18.xyz

+17
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-19.xyz

+17
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-20.xyz

+17
+ comment:c
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+C 0.0388580 -1.8121470 0.3250390
+C 1.1892520 -1.1275370 -0.3663930
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+H 1.9484100 0.8196610 -0.8391910
+O 0.2631230 2.2855010 0.2474790
+H -0.3816010 2.7236841 0.8159930

tools/generate-unit-test-expect/IRC/IRC02/IRC02-21.xyz

+17
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-22.xyz

+17
+ comment:c
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+C 0.0343670 -1.8279630 0.3013560
+C 1.1933830 -1.1339540 -0.3657780
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+H -2.0786130 0.7467090 0.4684330
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+H -1.3938310 0.7606560 -1.1557330
+H 0.1164360 -1.7135100 1.3928760
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+H 1.9760430 0.8104880 -0.8006710
+O 0.2338820 2.2845020 0.2240920
+H -0.4443540 2.7136610 0.7596470

tools/generate-unit-test-expect/IRC/IRC02/IRC02-23.xyz

+17
+ comment:c
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+C 0.0317030 -1.8367651 0.2861150
+C 1.1947060 -1.1346840 -0.3658050
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+H -1.3847420 0.7639290 -1.1465970
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+H 0.1583460 0.6447840 1.4632699
+H 1.9928080 0.8079260 -0.7732120
+O 0.2254230 2.2864089 0.2104790
+H -0.4701770 2.7147491 0.7240920

tools/generate-unit-test-expect/IRC/IRC02/IRC02-24.xyz

+17
+ comment:c
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+C 0.0296330 -1.8458840 0.2698120
+C 1.1959060 -1.1341079 -0.3656840
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-25.xyz

+17
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-26.xyz

+17
+ comment:c
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+H 1.9999200 -1.6885120 -0.8443770
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+H 0.1276650 -1.8640760 1.3311100
+H 0.1595890 0.6993890 1.4898570
+H 2.0328889 0.8074970 -0.6818250
+O 0.2172760 2.2918251 0.1676810
+H -0.5052130 2.7322760 0.6318390

tools/generate-unit-test-expect/IRC/IRC02/IRC02-27.xyz

+17
+ comment:c
+C 0.0916700 0.9036400 0.4093150
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-28.xyz

+17
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-29.xyz

+17
+ comment:c
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+H 0.1608050 -1.9727960 1.2769620
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-30.xyz

+17
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-31.xyz

+17
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tools/generate-unit-test-expect/IRC/IRC02/IRC02-32.xyz

+17
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