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	hartrees
Energy at 0K	-231.205655
Energy at 298.15K	-231.210369
HF Energy	-230.554972
Nuclear repulsion energy	190.114415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3281	3038	0.00
2	A₁'	2019	1869	0.00
3	A₁'	1557	1441	0.00
4	A₁'	835	774	0.00
5	A₁"	794	735	0.00
6	A₂'	3368	3118	0.00
7	A₂'	1157	1071	0.00
8	A₂'	530	490	0.00
9	A₂"	971	899	138.17
10	A₂"	219	203	5.40
11	E'	3368	3119	9.04
11	E'	3368	3119	9.04
12	E'	3280	3037	10.71
12	E'	3280	3037	10.71
13	E'	1811	1677	7.39
13	E'	1811	1677	7.39
14	E'	1523	1410	10.59
14	E'	1523	1410	10.59
15	E'	1191	1103	7.97
15	E'	1191	1103	7.97
16	E'	843	780	9.57
16	E'	843	780	9.57
17	E'	233	216	0.01
17	E'	233	216	0.01
18	E"	964	892	0.00
18	E"	964	892	0.00
19	E"	814	753	0.00
19	E"	814	753	0.00
20	E"	354	328	0.00
20	E"	354	328	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.834
C2	0.722	-0.417
C3	-0.722	-0.417
C4	0.000	2.157
C5	1.868	-1.078
C6	-1.868	-1.078
H7	-0.923	2.717
H8	0.923	2.717
H9	2.815	-0.560
H10	1.892	-2.158
H11	-1.892	-2.158
H12	-2.815	-0.560

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4445	1.4445	1.3229	2.6732	2.6732	2.0974	2.0974	3.1408	3.5399	3.5399	3.1408
C2	1.4445		1.4445	2.6732	1.3229	2.6732	3.5399	3.1408	2.0974	2.0974	3.1408	3.5399
C3	1.4445	1.4445		2.6732	2.6732	1.3229	3.1408	3.5399	3.5399	3.1408	2.0974	2.0974
C4	1.3229	2.6732	2.6732		3.7357	3.7357	1.0797	1.0797	3.9118	4.7113	4.7113	3.9118
C5	2.6732	1.3229	2.6732	3.7357		3.7357	4.7113	3.9118	1.0797	1.0797	3.9118	4.7113
C6	2.6732	2.6732	1.3229	3.7357	3.7357		3.9118	4.7113	4.7113	3.9118	1.0797	1.0797
H7	2.0974	3.5399	3.1408	1.0797	4.7113	3.9118		1.8454	4.9707	5.6295	4.9707	3.7841
H8	2.0974	3.1408	3.5399	1.0797	3.9118	4.7113	1.8454		3.7841	4.9707	5.6295	4.9707
H9	3.1408	2.0974	3.5399	3.9118	1.0797	4.7113	4.9707	3.7841		1.8454	4.9707	5.6295
H10	3.5399	2.0974	3.1408	4.7113	1.0797	3.9118	5.6295	4.9707	1.8454		3.7841	4.9707
H11	3.5399	3.1408	2.0974	4.7113	3.9118	1.0797	4.9707	5.6295	4.9707	3.7841		1.8454
H12	3.1408	3.5399	2.0974	3.9118	4.7113	1.0797	3.7841	4.9707	5.6295	4.9707	1.8454

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	121.283	C1	C4	H8	121.283
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.283
C2	C5	H10	121.283	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.283
C3	C6	H12	121.283	H7	C4	H8	117.433
H9	C5	H10	117.433	H11	C6	H12	117.433

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)