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	hartrees
Energy at 0K	-230.938037
Energy at 298.15K	-230.942558
HF Energy	-230.464988
Nuclear repulsion energy	188.230886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3227	3026	0.00
2	A₁'	1987	1863	0.00
3	A₁'	1561	1464	0.00
4	A₁'	804	754	0.00
5	A₁"	786	737	0.00
6	A₂'	3310	3104	0.00
7	A₂'	1169	1096	0.00
8	A₂'	542	508	0.00
9	A₂"	975	914	153.96
10	A₂"	194	182	6.69
11	E'	3311	3105	17.76
11	E'	3311	3105	17.76
12	E'	3224	3023	14.91
12	E'	3224	3023	14.91
13	E'	1777	1667	5.30
13	E'	1777	1667	5.30
14	E'	1528	1433	9.72
14	E'	1528	1433	9.72
15	E'	1196	1122	10.81
15	E'	1196	1122	10.81
16	E'	809	759	11.03
16	E'	809	759	11.03
17	E'	236	222	0.02
17	E'	236	222	0.02
18	E"	967	906	0.00
18	E"	967	906	0.00
19	E"	787	738	0.00
19	E"	787	738	0.00
20	E"	290	271	0.00
20	E"	290	271	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.846
C2	0.733	-0.423
C3	-0.733	-0.423
C4	0.000	2.179
C5	1.887	-1.089
C6	-1.887	-1.089
H7	-0.923	2.747
H8	0.923	2.747
H9	2.840	-0.574
H10	1.917	-2.173
H11	-1.917	-2.173
H12	-2.840	-0.574

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4658	1.4658	1.3325	2.7032	2.7032	2.1128	2.1128	3.1755	3.5765	3.5765	3.1755
C2	1.4658		1.4658	2.7032	1.3325	2.7032	3.5765	3.1755	2.1128	2.1128	3.1755	3.5765
C3	1.4658	1.4658		2.7032	2.7032	1.3325	3.1755	3.5765	3.5765	3.1755	2.1128	2.1128
C4	1.3325	2.7032	2.7032		3.7738	3.7738	1.0841	1.0841	3.9552	4.7553	4.7553	3.9552
C5	2.7032	1.3325	2.7032	3.7738		3.7738	4.7553	3.9552	1.0841	1.0841	3.9552	4.7553
C6	2.7032	2.7032	1.3325	3.7738	3.7738		3.9552	4.7553	4.7553	3.9552	1.0841	1.0841
H7	2.1128	3.5765	3.1755	1.0841	4.7553	3.9552		1.8469	5.0190	5.6808	5.0190	3.8339
H8	2.1128	3.1755	3.5765	1.0841	3.9552	4.7553	1.8469		3.8339	5.0190	5.6808	5.0190
H9	3.1755	2.1128	3.5765	3.9552	1.0841	4.7553	5.0190	3.8339		1.8469	5.0190	5.6808
H10	3.5765	2.1128	3.1755	4.7553	1.0841	3.9552	5.6808	5.0190	1.8469		3.8339	5.0190
H11	3.5765	3.1755	2.1128	4.7553	3.9552	1.0841	5.0190	5.6808	5.0190	3.8339		1.8469
H12	3.1755	3.5765	2.1128	3.9552	4.7553	1.0841	3.8339	5.0190	5.6808	5.0190	1.8469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	60.000	C1	C2	C5	150.000
C1	C3	C2	60.000	C1	C3	C6	150.000
C1	C4	H7	121.588	C1	C4	H8	121.588
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.588
C2	C5	H10	121.588	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.588
C3	C6	H12	121.588	H7	C4	H8	116.824
H9	C5	H10	116.824	H11	C6	H12	116.824

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: CISD/6-31G

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 C6H6 (Trimethylenecycopropane)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)