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	hartrees
Energy at 0K	-231.391352
Energy at 298.15K	-231.395642
HF Energy	-230.551207
Nuclear repulsion energy	188.025402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3156	3028
2	A₁'	1880	1803
3	A₁'	1493	1433
4	A₁'	789	757
5	A₁"	734	704
6	A₂'	3243	3111
7	A₂'	1100	1056
8	A₂'	502	481
9	A₂"	854	820
10	A₂"	194	186
11	E'	3243	3111
11	E'	3243	3111
12	E'	3156	3027
12	E'	3155	3027
13	E'	1673	1605
13	E'	1673	1605
14	E'	1456	1397
14	E'	1456	1396
15	E'	1137	1090
15	E'	1136	1090
16	E'	797	765
16	E'	797	764
17	E'	220	211
17	E'	218	209
18	E"	847	813
18	E"	847	813
19	E"	739	709
19	E"	739	709
20	E"	315	302
20	E"	315	302

Atom	x (Å)	y (Å)
C1	0.000	0.839
C2	0.727	-0.420
C3	-0.727	-0.420
C4	0.000	2.183
C5	1.891	-1.092
C6	-1.891	-1.092
H7	-0.931	2.748
H8	0.931	2.748
H9	2.846	-0.568
H10	1.915	-2.181
H11	-1.915	-2.181
H12	-2.846	-0.568

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4537	1.4537	1.3439	2.7023	2.7023	2.1243	2.1243	3.1747	3.5759	3.5759	3.1747
C2	1.4537		1.4537	2.7023	1.3439	2.7023	3.5759	3.1747	2.1243	2.1243	3.1747	3.5759
C3	1.4537	1.4537		2.7023	2.7023	1.3439	3.1747	3.5759	3.5759	3.1747	2.1243	2.1243
C4	1.3439	2.7023	2.7023		3.7813	3.7813	1.0896	1.0896	3.9581	4.7655	4.7655	3.9581
C5	2.7023	1.3439	2.7023	3.7813		3.7813	4.7655	3.9581	1.0896	1.0896	3.9581	4.7655
C6	2.7023	2.7023	1.3439	3.7813	3.7813		3.9581	4.7655	4.7655	3.9581	1.0896	1.0896
H7	2.1243	3.5759	3.1747	1.0896	4.7655	3.9581		1.8628	5.0265	5.6920	5.0265	3.8291
H8	2.1243	3.1747	3.5759	1.0896	3.9581	4.7655	1.8628		3.8291	5.0265	5.6920	5.0265
H9	3.1747	2.1243	3.5759	3.9581	1.0896	4.7655	5.0265	3.8291		1.8628	5.0265	5.6920
H10	3.5759	2.1243	3.1747	4.7655	1.0896	3.9581	5.6920	5.0265	1.8628		3.8291	5.0265
H11	3.5759	3.1747	2.1243	4.7655	3.9581	1.0896	5.0265	5.6920	5.0265	3.8291		1.8628
H12	3.1747	3.5759	2.1243	3.9581	4.7655	1.0896	3.8291	5.0265	5.6920	5.0265	1.8628

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	121.258	C1	C4	H8	121.258
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	121.258
C2	C5	H10	121.258	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	121.258
C3	C6	H12	121.258	H7	C4	H8	117.485
H9	C5	H10	117.485	H11	C6	H12	117.485

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: QCISD(T)/6-31G*

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: QCISD(T)/6-31G*

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)