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

tools/generate-unit-test-expect/IRC/IRC08/IRC08-21.xyz

+19
+ comment:c
+C 0.9325920 1.9127580 -0.0433750
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+H 1.0838990 -0.6851640 1.0604430
+H 0.9691410 1.7737170 1.0493730
+H 2.9153609 1.8476750 -1.1210949
+H 0.9293660 2.9932041 -0.2159980
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+H -1.2067961 0.6313210 1.5531880
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-22.xyz

+19
+ comment:c
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+C -0.3434020 -0.2735270 -0.5111490
+C 1.0301501 -0.8299530 -0.0426170
+C 2.1683049 -0.0802710 -0.6776870
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+H 1.0677190 -1.9028140 -0.2490240
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+H -0.4420120 1.5527660 -1.6599990
+H 1.0986670 -0.7226810 1.0513740
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+H -1.1928980 0.6212720 1.5682790
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-23.xyz

+19
+ comment:c
+C 0.9244060 1.9287720 -0.0635380
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+C -0.3390870 -0.2809240 -0.5074420
+C 1.0386930 -0.8383440 -0.0523450
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+H 1.1107250 -0.7539000 1.0434520
+H 0.9608910 1.8383770 1.0344130
+H 2.9335790 1.8597929 -1.0837680
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+O -1.6739810 -0.2170010 1.5508970
+H -1.1741440 0.6103270 1.5821400
+O -1.8877770 -1.9679450 0.2106820

tools/generate-unit-test-expect/IRC/IRC08/IRC08-24.xyz

+19
+ comment:c
+C 0.9163800 1.9315990 -0.0701760
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+C 1.0446630 -0.8424670 -0.0559530
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-25.xyz

+19
+ comment:c
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+C 1.0485040 -0.8438530 -0.0554990
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+O -1.9247380 -1.9483750 0.2037990

tools/generate-unit-test-expect/IRC/IRC08/IRC08-26.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-27.xyz

+19
+ comment:c
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+C 1.0555210 -0.8449780 -0.0522150
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+H 2.9276061 1.8887520 -1.0412360
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+H -1.0507830 0.5628780 1.6149420
+O -1.9597480 -1.9273300 0.1958760

tools/generate-unit-test-expect/IRC/IRC08/IRC08-28.xyz

+19
+ comment:c
+C 0.8801060 1.9328130 -0.0865380
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-29.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-30.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-31.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-32.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-33.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-34.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-35.xyz

+19
+ comment:c
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-36.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-37.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-38.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-39.xyz

+19
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tools/generate-unit-test-expect/IRC/IRC08/IRC08-40.xyz

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