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	hartrees
Energy at 0K	-231.665555
Energy at 298.15K	-231.669975
HF Energy	-230.632789
Nuclear repulsion energy	188.768877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3149	3069
2	A₁'	1861	1814
3	A₁'	1481	1444
4	A₁'	780	760
5	A₁"	734	715
6	A₂'	3239	3158
7	A₂'	1099	1071
8	A₂'	494	482
9	A₂"	889	867
10	A₂"	203	198
11	E'	3240	3158
11	E'	3240	3158
12	E'	3149	3069
12	E'	3148	3069
13	E'	1661	1620
13	E'	1661	1619
14	E'	1445	1408
14	E'	1444	1408
15	E'	1127	1099
15	E'	1127	1099
16	E'	789	769
16	E'	789	769
17	E'	219	213
17	E'	218	213
18	E"	883	861
18	E"	883	860
19	E"	751	732
19	E"	751	732
20	E"	330	322
20	E"	327	319

Atom	x (Å)	y (Å)
C1	0.000	0.837
C2	0.725	-0.419
C3	-0.725	-0.419
C4	0.000	2.176
C5	1.884	-1.088
C6	-1.884	-1.088
H7	-0.929	2.731
H8	0.929	2.731
H9	2.830	-0.561
H10	1.901	-2.170
H11	-1.901	-2.170
H12	-2.830	-0.561

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4503	1.4503	1.3383	2.6937	2.6937	2.1097	2.1097	3.1565	3.5580	3.5580	3.1565
C2	1.4503		1.4503	2.6937	1.3383	2.6937	3.5580	3.1565	2.1097	2.1097	3.1565	3.5580
C3	1.4503	1.4503		2.6937	2.6937	1.3383	3.1565	3.5580	3.5580	3.1565	2.1097	2.1097
C4	1.3383	2.6937	2.6937		3.7683	3.7683	1.0828	1.0828	3.9366	4.7435	4.7435	3.9366
C5	2.6937	1.3383	2.6937	3.7683		3.7683	4.7435	3.9366	1.0828	1.0828	3.9366	4.7435
C6	2.6937	2.6937	1.3383	3.7683	3.7683		3.9366	4.7435	4.7435	3.9366	1.0828	1.0828
H7	2.1097	3.5580	3.1565	1.0828	4.7435	3.9366		1.8588	4.9970	5.6600	4.9970	3.8013
H8	2.1097	3.1565	3.5580	1.0828	3.9366	4.7435	1.8588		3.8013	4.9970	5.6600	4.9970
H9	3.1565	2.1097	3.5580	3.9366	1.0828	4.7435	4.9970	3.8013		1.8588	4.9970	5.6600
H10	3.5580	2.1097	3.1565	4.7435	1.0828	3.9366	5.6600	4.9970	1.8588		3.8013	4.9970
H11	3.5580	3.1565	2.1097	4.7435	3.9366	1.0828	4.9970	5.6600	4.9970	3.8013		1.8588
H12	3.1565	3.5580	2.1097	3.9366	4.7435	1.0828	3.8013	4.9970	5.6600	4.9970	1.8588

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	120.872	C1	C4	H8	120.872
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.872
C2	C5	H10	120.872	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.872
C3	C6	H12	120.872	H7	C4	H8	118.256
H9	C5	H10	118.256	H11	C6	H12	118.256

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: CCSD(T)/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 C6H6 (Trimethylenecycopropane)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)