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	hartrees
Energy at 0K	-234.192445
Energy at 298.15K	-234.204482
HF Energy	-233.077499
Nuclear repulsion energy	246.566376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3107	9.18
2	A'	3234	3071	11.63
3	A'	3192	3030	14.58
4	A'	3157	2998	29.79
5	A'	3131	2973	37.40
6	A'	3111	2953	7.05
7	A'	3087	2930	24.34
8	A'	1538	1460	4.05
9	A'	1515	1438	4.64
10	A'	1506	1430	3.05
11	A'	1417	1345	0.30
12	A'	1338	1270	1.07
13	A'	1279	1214	0.71
14	A'	1220	1159	1.06
15	A'	1145	1087	0.12
16	A'	1077	1023	0.04
17	A'	990	940	4.30
18	A'	926	879	0.27
19	A'	890	845	2.88
20	A'	848	805	8.92
21	A'	839	796	0.17
22	A'	618	587	1.23
23	A'	402	381	0.59
24	A'	267	253	0.00
25	A"	3226	3063	9.23
26	A"	3129	2971	19.07
27	A"	3086	2930	48.02
28	A"	1511	1435	1.94
29	A"	1381	1311	2.15
30	A"	1348	1280	1.77
31	A"	1322	1256	1.24
32	A"	1225	1163	0.02
33	A"	1196	1136	0.05
34	A"	1115	1059	1.60
35	A"	1102	1046	0.21
36	A"	1054	1001	9.42
37	A"	1008	957	0.11
38	A"	996	946	0.82
39	A"	896	851	0.08
40	A"	784	745	10.80
41	A"	609	578	0.55
42	A"	294	279	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.205	1.416	0.000
C2	-0.915	-1.272	0.000
C3	0.295	0.628	1.215
C4	0.295	0.628	-1.215
C5	0.295	-0.805	0.751
C6	0.295	-0.805	-0.751
H7	-1.108	-2.330	0.000
H8	-1.802	-0.659	0.000
H9	-1.290	1.454	0.000
H10	0.151	2.440	0.000
H11	-0.328	0.791	2.090
H12	-0.328	0.791	-2.090
H13	1.311	0.920	-1.469
H14	1.311	0.920	1.469
H15	0.867	-1.531	1.302
H16	0.867	-1.531	-1.302

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.7798	1.5321	1.5321	2.3968	2.3968	3.8533	2.6179	1.0855	1.0841	2.1849	2.1849	2.1685	2.1685	3.3949	3.3949
C2	2.7798		2.5592	2.5592	1.4984	1.4984	1.0759	1.0780	2.7512	3.8616	2.9948	2.9948	3.4522	3.4522	2.2219	2.2219
C3	1.5321	2.5592		2.4304	1.5063	2.4325	3.4922	2.7437	2.1610	2.1863	1.0865	3.3675	2.8848	1.0876	2.2348	3.3647
C4	1.5321	2.5592	2.4304		2.4325	1.5063	3.4922	2.7437	2.1610	2.1863	3.3675	1.0865	1.0876	2.8848	3.3647	2.2348
C5	2.3968	1.4984	1.5063	2.4325		1.5011	2.2041	2.2318	2.8595	3.3334	2.1749	3.3174	2.9890	2.1270	1.0759	2.2506
C6	2.3968	1.4984	2.4325	1.5063	1.5011		2.2041	2.2318	2.8595	3.3334	3.3174	2.1749	2.1270	2.9890	2.2506	1.0759
H7	3.8533	1.0759	3.4922	3.4922	2.2041	2.2041		1.8098	3.7884	4.9333	3.8367	3.8367	4.3098	4.3098	2.4967	2.4967
H8	2.6179	1.0780	2.7437	2.7437	2.2318	2.2318	1.8098		2.1737	3.6626	2.9398	2.9398	3.7870	3.7870	3.0946	3.0946
H9	1.0855	2.7512	2.1610	2.1610	2.8595	2.8595	3.7884	2.1737		1.7460	2.3942	2.3942	3.0345	3.0345	3.9055	3.9055
H10	1.0841	3.8616	2.1863	2.1863	3.3334	3.3334	4.9333	3.6626	1.7460		2.7048	2.7048	2.4109	2.4109	4.2392	4.2392
H11	2.1849	2.9948	1.0865	3.3675	2.1749	3.3174	3.8367	2.9398	2.3942	2.7048		4.1802	3.9205	1.7580	2.7279	4.2806
H12	2.1849	2.9948	3.3675	1.0865	3.3174	2.1749	3.8367	2.9398	2.3942	2.7048	4.1802		1.7580	3.9205	4.2806	2.7279
H13	2.1685	3.4522	2.8848	1.0876	2.9890	2.1270	4.3098	3.7870	3.0345	2.4109	3.9205	1.7580		2.9376	3.7254	2.4963
H14	2.1685	3.4522	1.0876	2.8848	2.1270	2.9890	4.3098	3.7870	3.0345	2.4109	1.7580	3.9205	2.9376		2.4963	3.7254
H15	3.3949	2.2219	2.2348	3.3647	1.0759	2.2506	2.4967	3.0946	3.9055	4.2392	2.7279	4.2806	3.7254	2.4963		2.6033
H16	3.3949	2.2219	3.3647	2.2348	2.2506	1.0759	2.4967	3.0946	3.9055	4.2392	4.2806	2.7279	2.4963	3.7254	2.6033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.153	C1	C3	H11	111.982
C1	C3	H14	110.595	C1	C4	C6	104.153
C1	C4	H12	111.982	C1	C4	H13	110.595
C2	C5	C3	116.799	C2	C5	C6	59.941
C2	C5	H15	118.401	C2	C6	C4	116.799
C2	C6	C5	59.941	C2	C6	H16	118.401
C3	C1	C4	104.964	C3	C1	H9	110.125
C3	C1	H10	112.241	C3	C5	C6	107.967
C3	C5	H15	118.927	C4	C1	H9	110.125
C4	C1	H10	112.241	C4	C6	C5	107.967
C4	C6	H16	118.927	C5	C2	C6	60.117
C5	C2	H7	116.826	C5	C2	H8	119.145
C5	C3	H11	113.042	C5	C3	H14	109.109
C5	C6	H16	120.811	C6	C2	H7	116.826
C6	C2	H8	119.145	C6	C4	H12	113.042
C6	C4	H13	109.109	C6	C5	H15	120.811
H7	C2	H8	114.331	H9	C1	H10	107.173
H11	C3	H14	107.931	H12	C4	H13	107.931

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

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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