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	hartrees
Energy at 0K	-229.782123
Energy at 298.15K	-229.786431
HF Energy	-229.255848
Nuclear repulsion energy	187.575195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3165	3011	0.00
2	A₁'	1848	1758	0.00
3	A₁'	1549	1474	0.00
4	A₁'	744	708	0.00
5	A₁"	777	739	0.00
6	A₂'	3249	3091	0.00
7	A₂'	1142	1087	0.00
8	A₂'	528	502	0.00
9	A₂"	915	871	143.68
10	A₂"	190	181	7.79
11	E'	3250	3091	9.26
11	E'	3250	3091	9.26
12	E'	3164	3010	7.13
12	E'	3164	3010	7.13
13	E'	1671	1590	5.27
13	E'	1671	1590	5.27
14	E'	1513	1439	6.77
14	E'	1513	1439	6.77
15	E'	1170	1113	7.71
15	E'	1170	1113	7.71
16	E'	761	724	5.84
16	E'	761	724	5.84
17	E'	231	220	0.21
17	E'	231	220	0.21
18	E"	906	862	0.00
18	E"	906	862	0.00
19	E"	767	730	0.00
19	E"	767	730	0.00
20	E"	268	255	0.00
20	E"	268	255	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.850
C2	0.737	-0.425
C3	-0.737	-0.425
C4	0.000	2.187
C5	1.894	-1.093
C6	-1.894	-1.093
H7	-0.927	2.754
H8	0.927	2.754
H9	2.849	-0.574
H10	1.922	-2.180
H11	-1.922	-2.180
H12	-2.849	-0.574

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4730	1.4730	1.3361	2.7136	2.7136	2.1175	2.1175	3.1852	3.5883	3.5883	3.1852
C2	1.4730		1.4730	2.7136	1.3361	2.7136	3.5883	3.1852	2.1175	2.1174	3.1852	3.5883
C3	1.4730	1.4730		2.7136	2.7136	1.3361	3.1852	3.5883	3.5883	3.1852	2.1174	2.1175
C4	1.3361	2.7136	2.7136		3.7872	3.7872	1.0869	1.0869	3.9671	4.7706	4.7706	3.9671
C5	2.7136	1.3361	2.7136	3.7872		3.7872	4.7706	3.9671	1.0869	1.0869	3.9671	4.7706
C6	2.7136	2.7136	1.3361	3.7872	3.7872		3.9671	4.7706	4.7706	3.9671	1.0869	1.0869
H7	2.1175	3.5883	3.1852	1.0869	4.7706	3.9671		1.8536	5.0334	5.6974	5.0334	3.8437
H8	2.1175	3.1852	3.5883	1.0869	3.9671	4.7706	1.8536		3.8437	5.0334	5.6974	5.0334
H9	3.1852	2.1175	3.5883	3.9671	1.0869	4.7706	5.0334	3.8437		1.8536	5.0334	5.6974
H10	3.5883	2.1174	3.1852	4.7706	1.0869	3.9671	5.6974	5.0334	1.8536		3.8437	5.0334
H11	3.5883	3.1852	2.1174	4.7706	3.9671	1.0869	5.0334	5.6974	5.0334	3.8437		1.8536
H12	3.1852	3.5883	2.1175	3.9671	4.7706	1.0869	3.8437	5.0334	5.6974	5.0334	1.8536

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	121.491	C1	C4	H8	121.491
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.491
C2	C5	H10	121.491	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.491
C3	C6	H12	121.491	H7	C4	H8	117.018
H9	C5	H10	117.018	H11	C6	H12	117.018

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)