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	hartrees
Energy at 0K	-36.954428
Energy at 298.15K	-36.958450
HF Energy	-36.243248
Nuclear repulsion energy	93.653739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3187	3026	0.00
2	A₁'	1903	1807	0.00
3	A₁'	1483	1408	0.00
4	A₁'	784	744	0.00
5	A₁"	728	691	0.00
6	A₂'	3282	3116	0.00
7	A₂'	1018	967	0.00
8	A₂'	418	397	0.00
9	A₂"	772	733	227.18
10	A₂"	204	194	6.26
11	E'	3283	3117	10.53
11	E'	3283	3117	10.53
12	E'	3185	3024	10.87
12	E'	3185	3024	10.87
13	E'	1674	1590	5.21
13	E'	1674	1590	5.21
14	E'	1442	1369	7.58
14	E'	1442	1369	7.58
15	E'	1090	1034	3.51
15	E'	1090	1034	3.51
16	E'	782	743	4.54
16	E'	782	743	4.54
17	E'	204	194	0.15
17	E'	204	194	0.15
18	E"	782	743	0.00
18	E"	782	743	0.00
19	E"	699	664	0.00
19	E"	699	664	0.00
20	E"	305	290	0.00
20	E"	305	290	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.851
C2	0.737	-0.425
C3	-0.737	-0.425
C4	0.000	2.226
C5	1.928	-1.113
C6	-1.928	-1.113
H7	-0.943	2.783
H8	0.943	2.783
H9	2.882	-0.574
H10	1.938	-2.208
H11	-1.938	-2.208
H12	-2.882	-0.574

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4740	1.4740	1.3748	2.7518	2.7518	2.1497	2.1497	3.2148	3.6216	3.6216	3.2148
C2	1.4740		1.4740	2.7518	1.3748	2.7518	3.6216	3.2148	2.1497	2.1497	3.2148	3.6216
C3	1.4740	1.4740		2.7518	2.7518	1.3748	3.2148	3.6216	3.6216	3.2148	2.1497	2.1497
C4	1.3748	2.7518	2.7518		3.8551	3.8551	1.0955	1.0955	4.0179	4.8391	4.8391	4.0179
C5	2.7518	1.3748	2.7518	3.8551		3.8551	4.8391	4.0179	1.0955	1.0955	4.0179	4.8391
C6	2.7518	2.7518	1.3748	3.8551	3.8551		4.0179	4.8391	4.8391	4.0179	1.0955	1.0955
H7	2.1497	3.6216	3.2148	1.0955	4.8391	4.0179		1.8867	5.0891	5.7630	5.0891	3.8763
H8	2.1497	3.2148	3.6216	1.0955	4.0179	4.8391	1.8867		3.8763	5.0891	5.7630	5.0891
H9	3.2148	2.1497	3.6216	4.0179	1.0955	4.8391	5.0891	3.8763		1.8867	5.0891	5.7630
H10	3.6216	2.1497	3.2148	4.8391	1.0955	4.0179	5.7630	5.0891	1.8867		3.8763	5.0891
H11	3.6216	3.2148	2.1497	4.8391	4.0179	1.0955	5.0891	5.7630	5.0891	3.8763		1.8867
H12	3.2148	3.6216	2.1497	4.0179	4.8391	1.0955	3.8763	5.0891	5.7630	5.0891	1.8867

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	120.555	C1	C4	H8	120.555
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.555
C2	C5	H10	120.555	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.555
C3	C6	H12	120.555	H7	C4	H8	118.891
H9	C5	H10	118.891	H11	C6	H12	118.891

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)