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	hartrees
Energy at 0K	-231.496649
Energy at 298.15K	-231.500927
HF Energy	-230.593800
Nuclear repulsion energy	188.865889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3180	3012	0.00
2	A₁'	1899	1799	0.00
3	A₁'	1485	1406	0.00
4	A₁'	792	750	0.00
5	A₁"	750	711	0.00
6	A₂'	3280	3107	0.00
7	A₂'	1095	1037	0.00
8	A₂'	491	465	0.00
9	A₂"	836	792	144.74
10	A₂"	197	186	7.80
11	E'	3280	3107	6.38
11	E'	3280	3107	6.38
12	E'	3180	3011	6.03
12	E'	3180	3011	6.03
13	E'	1677	1588	5.92
13	E'	1677	1588	5.92
14	E'	1451	1374	11.10
14	E'	1451	1374	11.10
15	E'	1133	1073	2.58
15	E'	1133	1073	2.58
16	E'	804	761	3.49
16	E'	804	761	3.49
17	E'	218	206	0.07
17	E'	218	206	0.07
18	E"	829	785	0.00
18	E"	829	785	0.00
19	E"	745	705	0.00
19	E"	745	705	0.00
20	E"	299	283	0.00
20	E"	299	283	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.835
C2	0.723	-0.417
C3	-0.723	-0.417
C4	0.000	2.174
C5	1.883	-1.087
C6	-1.883	-1.087
H7	-0.930	2.733
H8	0.930	2.733
H9	2.832	-0.561
H10	1.902	-2.172
H11	-1.902	-2.172
H12	-2.832	-0.561

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4460	1.4460	1.3391	2.6904	2.6904	2.1137	2.1137	3.1572	3.5577	3.5577	3.1572
C2	1.4460		1.4460	2.6904	1.3391	2.6904	3.5577	3.1572	2.1137	2.1137	3.1572	3.5577
C3	1.4460	1.4460		2.6904	2.6904	1.3391	3.1572	3.5577	3.5577	3.1572	2.1137	2.1137
C4	1.3391	2.6904	2.6904		3.7654	3.7654	1.0850	1.0850	3.9370	4.7437	4.7437	3.9370
C5	2.6904	1.3391	2.6904	3.7654		3.7654	4.7437	3.9370	1.0850	1.0850	3.9370	4.7437
C6	2.6904	2.6904	1.3391	3.7654	3.7654		3.9370	4.7437	4.7437	3.9370	1.0850	1.0850
H7	2.1137	3.5577	3.1572	1.0850	4.7437	3.9370		1.8598	5.0002	5.6636	5.0002	3.8037
H8	2.1137	3.1572	3.5577	1.0850	3.9370	4.7437	1.8598		3.8037	5.0002	5.6636	5.0002
H9	3.1572	2.1137	3.5577	3.9370	1.0850	4.7437	5.0002	3.8037		1.8598	5.0002	5.6636
H10	3.5577	2.1137	3.1572	4.7437	1.0850	3.9370	5.6636	5.0002	1.8598		3.8037	5.0002
H11	3.5577	3.1572	2.1137	4.7437	3.9370	1.0850	5.0002	5.6636	5.0002	3.8037		1.8598
H12	3.1572	3.5577	2.1137	3.9370	4.7437	1.0850	3.8037	5.0002	5.6636	5.0002	1.8598

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	121.013	C1	C4	H8	121.013
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.013
C2	C5	H10	121.013	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.013
C3	C6	H12	121.013	H7	C4	H8	117.975
H9	C5	H10	117.975	H11	C6	H12	117.975

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)