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	hartrees
Energy at 0K	-231.476683
Energy at 298.15K	-231.480910
HF Energy	-230.574869
Nuclear repulsion energy	186.506335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3161	3088
2	A₁'	1875	1832
3	A₁'	1493	1459
4	A₁'	789	771
5	A₁"	741	724
6	A₂'	3250	3175
7	A₂'	1099	1074
8	A₂'	503	491
9	A₂"	851	831
10	A₂"	196	192
11	E'	3251	3176
11	E'	3251	3176
12	E'	3161	3088
12	E'	3161	3088
13	E'	1670	1631
13	E'	1670	1631
14	E'	1457	1423
14	E'	1457	1423
15	E'	1136	1110
15	E'	1136	1109
16	E'	800	781
16	E'	799	781
17	E'	220	215
17	E'	219	214
18	E"	844	824
18	E"	844	824
19	E"	745	728
19	E"	745	728
20	E"	316	308
20	E"	316	308

Atom	x (Å)	y (Å)
C1	0.000	0.846
C2	0.733	-0.423
C3	-0.733	-0.423
C4	0.000	2.203
C5	1.908	-1.101
C6	-1.908	-1.101
H7	-0.941	2.764
H8	0.941	2.764
H9	2.864	-0.567
H10	1.923	-2.197
H11	-1.923	-2.197
H12	-2.864	-0.567

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4654	1.4654	1.3565	2.7260	2.7260	2.1366	2.1366	3.1941	3.6001	3.6001	3.1941
C2	1.4654		1.4654	2.7260	1.3565	2.7260	3.6001	3.1941	2.1366	2.1366	3.1941	3.6001
C3	1.4654	1.4654		2.7260	2.7260	1.3565	3.1941	3.6001	3.6001	3.1941	2.1366	2.1366
C4	1.3565	2.7260	2.7260		3.8150	3.8150	1.0960	1.0960	3.9845	4.8018	4.8018	3.9845
C5	2.7260	1.3565	2.7260	3.8150		3.8150	4.8018	3.9845	1.0960	1.0960	3.9845	4.8018
C6	2.7260	2.7260	1.3565	3.8150	3.8150		3.9845	4.8018	4.8018	3.9845	1.0960	1.0960
H7	2.1366	3.6001	3.1941	1.0960	4.8018	3.9845		1.8825	5.0577	5.7290	5.0577	3.8465
H8	2.1366	3.1941	3.6001	1.0960	3.9845	4.8018	1.8825		3.8465	5.0577	5.7290	5.0577
H9	3.1941	2.1366	3.6001	3.9845	1.0960	4.8018	5.0577	3.8465		1.8825	5.0577	5.7290
H10	3.6001	2.1366	3.1941	4.8018	1.0960	3.9845	5.7290	5.0577	1.8825		3.8465	5.0577
H11	3.6001	3.1941	2.1366	4.8018	3.9845	1.0960	5.0577	5.7290	5.0577	3.8465		1.8825
H12	3.1941	3.6001	2.1366	3.9845	4.8018	1.0960	3.8465	5.0577	5.7290	5.0577	1.8825

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	120.823	C1	C4	H8	120.823
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.823
C2	C5	H10	120.823	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.823
C3	C6	H12	120.823	H7	C4	H8	118.354
H9	C5	H10	118.354	H11	C6	H12	118.354

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP4/aug-cc-pVDZ

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: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)