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	hartrees
Energy at 0K	-39.085297
Energy at 298.15K
HF Energy	-38.601155
Nuclear repulsion energy	129.194009

Atom	x (Å)	y (Å)	z (Å)
C1	-0.176	1.489	0.000
C2	-0.951	-1.340	0.000
C3	0.295	0.650	1.263
C4	0.295	0.650	-1.263
C5	0.295	-0.833	0.777
C6	0.295	-0.833	-0.777
H7	-1.130	-2.426	0.000
H8	-1.878	-0.746	0.000
H9	-1.281	1.596	0.000
H10	0.247	2.516	0.000
H11	-0.359	0.814	2.147
H12	-0.359	0.814	-2.147
H13	1.330	0.935	-1.555
H14	1.330	0.935	1.555
H15	0.891	-1.566	1.342
H16	0.891	-1.566	-1.342

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.9333	1.5878	1.5878	2.4937	2.4937	4.0302	2.8097	1.1100	1.1107	2.2581	2.2581	2.2348	2.2348	3.5036	3.5036
C2	2.9333		2.6655	2.6655	1.5535	1.5535	1.1012	1.1004	2.9542	4.0380	3.0982	3.0982	3.5774	3.5774	2.2907	2.2907
C3	1.5878	2.6655		2.5256	1.5602	2.5219	3.6175	2.8748	2.2300	2.2542	1.1122	3.4759	3.0159	1.1129	2.2959	3.4715
C4	1.5878	2.6655	2.5256		2.5219	1.5602	3.6175	2.8748	2.2300	2.2542	3.4759	1.1122	1.1129	3.0159	3.4715	2.2959
C5	2.4937	1.5535	1.5602	2.5219		1.5542	2.2744	2.3092	2.9979	3.4387	2.2402	3.4194	3.1046	2.1916	1.1010	2.3204
C6	2.4937	1.5535	2.5219	1.5602	1.5542		2.2744	2.3092	2.9979	3.4387	3.4194	2.2402	2.1916	3.1046	2.3204	1.1010
H7	4.0302	1.1012	3.6175	3.6175	2.2744	2.2744		1.8389	4.0252	5.1309	3.9628	3.9628	4.4463	4.4463	2.5743	2.5743
H8	2.8097	1.1004	2.8748	2.8748	2.3092	2.3092	1.8389		2.4173	3.8936	3.0578	3.0578	3.9416	3.9416	3.1845	3.1845
H9	1.1100	2.9542	2.2300	2.2300	2.9979	2.9979	4.0252	2.4173		1.7836	2.4636	2.4636	3.1100	3.1100	4.0642	4.0642
H10	1.1107	4.0380	2.2542	2.2542	3.4387	3.4387	5.1309	3.8936	1.7836		2.8062	2.8062	2.4683	2.4683	4.3454	4.3454
H11	2.2581	3.0982	1.1122	3.4759	2.2402	3.4194	3.9628	3.0578	2.4636	2.8062		4.2939	4.0715	1.7941	2.8067	4.4051
H12	2.2581	3.0982	3.4759	1.1122	3.4194	2.2402	3.9628	3.0578	2.4636	2.8062	4.2939		1.7941	4.0715	4.4051	2.8067
H13	2.2348	3.5774	3.0159	1.1129	3.1046	2.1916	4.4463	3.9416	3.1100	2.4683	4.0715	1.7941		3.1109	3.8529	2.5482
H14	2.2348	3.5774	1.1129	3.0159	2.1916	3.1046	4.4463	3.9416	3.1100	2.4683	1.7941	4.0715	3.1109		2.5482	3.8529
H15	3.5036	2.2907	2.2959	3.4715	1.1010	2.3204	2.5743	3.1845	4.0642	4.3454	2.8067	4.4051	3.8529	2.5482		2.6845
H16	3.5036	2.2907	3.4715	2.2959	2.3204	1.1010	2.5743	3.1845	4.0642	4.3454	4.4051	2.8067	2.5482	3.8529	2.6845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.770	C1	C3	H11	112.303
C1	C3	H14	110.444	C1	C4	C6	104.770
C1	C4	H12	112.303	C1	C4	H13	110.444
C2	C5	C3	117.752	C2	C5	C6	59.985
C2	C5	H15	118.295	C2	C6	C4	117.752
C2	C6	C5	59.985	C2	C6	H16	118.295
C3	C1	C4	105.367	C3	C1	H9	110.240
C3	C1	H10	112.089	C3	C5	C6	108.137
C3	C5	H15	118.224	C4	C1	H9	110.240
C4	C1	H10	112.089	C4	C6	C5	108.137
C4	C6	H16	118.224	C5	C2	C6	60.031
C5	C2	H7	116.879	C5	C2	H8	119.974
C5	C3	H11	112.835	C5	C3	H14	108.997
C5	C6	H16	120.883	C6	C2	H7	116.879
C6	C2	H8	119.974	C6	C4	H12	112.835
C6	C4	H13	108.997	C6	C5	H15	120.883
H7	C2	H8	113.286	H9	C1	H10	106.862
H11	C3	H14	107.475	H12	C4	H13	107.475

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)

using model chemistry: MP2/CEP-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C6H10 (Bicyclo[3.1.0]hexane)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)