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	hartrees
Energy at 0K	-230.981994
Energy at 298.15K	-230.986276
HF Energy	-230.474568
Nuclear repulsion energy	185.064182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3135	3019	0.00
2	A₁'	1861	1792	0.00
3	A₁'	1505	1450	0.00
4	A₁'	746	718	0.00
5	A₁"	744	717	0.00
6	A₂'	3245	3126	0.00
7	A₂'	1112	1071	0.00
8	A₂'	509	490	0.00
9	A₂"	816	786	221.39
10	A₂"	204	196	7.98
11	E'	3248	3128	19.39
11	E'	3248	3128	19.39
12	E'	3131	3016	17.20
12	E'	3131	3016	17.20
13	E'	1643	1583	2.30
13	E'	1643	1583	2.30
14	E'	1470	1416	12.87
14	E'	1470	1416	12.87
15	E'	1136	1094	7.74
15	E'	1136	1094	7.74
16	E'	767	739	5.71
16	E'	767	739	5.71
17	E'	222	214	0.26
17	E'	222	214	0.26
18	E"	814	784	0.00
18	E"	814	784	0.00
19	E"	742	715	0.00
19	E"	742	715	0.00
20	E"	321	310	0.00
20	E"	321	310	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.859
C2	0.744	-0.429
C3	-0.744	-0.429
C4	0.000	2.221
C5	1.923	-1.110
C6	-1.923	-1.110
H7	-0.937	2.786
H8	0.937	2.786
H9	2.881	-0.582
H10	1.945	-2.204
H11	-1.945	-2.204
H12	-2.881	-0.582

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4873	1.4873	1.3622	2.7526	2.7526	2.1430	2.1430	3.2213	3.6281	3.6281	3.2213
C2	1.4873		1.4873	2.7526	1.3622	2.7526	3.6281	3.2213	2.1430	2.1430	3.2213	3.6281
C3	1.4873	1.4873		2.7526	2.7526	1.3622	3.2213	3.6281	3.6281	3.2213	2.1430	2.1430
C4	1.3622	2.7526	2.7526		3.8468	3.8468	1.0940	1.0940	4.0196	4.8336	4.8336	4.0196
C5	2.7526	1.3622	2.7526	3.8468		3.8468	4.8336	4.0196	1.0940	1.0940	4.0196	4.8336
C6	2.7526	2.7526	1.3622	3.8468	3.8468		4.0196	4.8336	4.8336	4.0196	1.0940	1.0940
H7	2.1430	3.6281	3.2213	1.0940	4.8336	4.0196		1.8734	5.0912	5.7625	5.0912	3.8892
H8	2.1430	3.2213	3.6281	1.0940	4.0196	4.8336	1.8734		3.8892	5.0912	5.7625	5.0912
H9	3.2213	2.1430	3.6281	4.0196	1.0940	4.8336	5.0912	3.8892		1.8734	5.0912	5.7625
H10	3.6281	2.1430	3.2213	4.8336	1.0940	4.0196	5.7625	5.0912	1.8734		3.8892	5.0912
H11	3.6281	3.2213	2.1430	4.8336	4.0196	1.0940	5.0912	5.7625	5.0912	3.8892		1.8734
H12	3.2213	3.6281	2.1430	4.0196	4.8336	1.0940	3.8892	5.0912	5.7625	5.0912	1.8734

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	121.110	C1	C4	H8	121.110
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.110
C2	C5	H10	121.110	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.110
C3	C6	H12	121.110	H7	C4	H8	117.780
H9	C5	H10	117.780	H11	C6	H12	117.780

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)