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	hartrees
Energy at 0K	-231.492999
Energy at 298.15K	-231.497219
HF Energy	-230.575420
Nuclear repulsion energy	186.699025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁'	3145	3067
2	A₁'	1844	1798
3	A₁'	1462	1426
4	A₁'	773	754
5	A₁"	717	700
6	A₂'	3248	3167
7	A₂'	1078	1052
8	A₂'	484	472
9	A₂"	872	851
10	A₂"	189	185
11	E'	3248	3167
11	E'	3248	3167
12	E'	3145	3067
12	E'	3145	3067
13	E'	1641	1600
13	E'	1641	1600
14	E'	1427	1391
14	E'	1427	1391
15	E'	1110	1083
15	E'	1110	1082
16	E'	779	760
16	E'	779	760
17	E'	215	210
17	E'	215	210
18	E"	865	843
18	E"	865	843
19	E"	724	706
19	E"	724	706
20	E"	286	279
20	E"	286	279

Atom	x (Å)	y (Å)
C1	0.000	0.845
C2	0.732	-0.423
C3	-0.732	-0.423
C4	0.000	2.200
C5	1.906	-1.100
C6	-1.906	-1.100
H7	-0.940	2.762
H8	0.940	2.762
H9	2.862	-0.566
H10	1.921	-2.195
H11	-1.921	-2.195
H12	-2.862	-0.566

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4637	1.4637	1.3552	2.7230	2.7230	2.1348	2.1348	3.1910	3.5965	3.5965	3.1910
C2	1.4637		1.4637	2.7230	1.3552	2.7230	3.5965	3.1910	2.1348	2.1348	3.1910	3.5965
C3	1.4637	1.4637		2.7230	2.7230	1.3552	3.1910	3.5965	3.5965	3.1910	2.1348	2.1348
C4	1.3552	2.7230	2.7230		3.8110	3.8110	1.0951	1.0951	3.9805	4.7971	4.7971	3.9805
C5	2.7230	1.3552	2.7230	3.8110		3.8110	4.7971	3.9805	1.0951	1.0951	3.9805	4.7971
C6	2.7230	2.7230	1.3552	3.8110	3.8110		3.9805	4.7971	4.7971	3.9805	1.0951	1.0951
H7	2.1348	3.5965	3.1910	1.0951	4.7971	3.9805		1.8806	5.0529	5.7236	5.0529	3.8429
H8	2.1348	3.1910	3.5965	1.0951	3.9805	4.7971	1.8806		3.8429	5.0529	5.7236	5.0529
H9	3.1910	2.1348	3.5965	3.9805	1.0951	4.7971	5.0529	3.8429		1.8806	5.0529	5.7236
H10	3.5965	2.1348	3.1910	4.7971	1.0951	3.9805	5.7236	5.0529	1.8806		3.8429	5.0529
H11	3.5965	3.1910	2.1348	4.7971	3.9805	1.0951	5.0529	5.7236	5.0529	3.8429		1.8806
H12	3.1910	3.5965	2.1348	3.9805	4.7971	1.0951	3.8429	5.0529	5.7236	5.0529	1.8806

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	120.835	C1	C4	H8	120.835
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.835
C2	C5	H10	120.835	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.835
C3	C6	H12	120.835	H7	C4	H8	118.330
H9	C5	H10	118.330	H11	C6	H12	118.330

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP4=FULL/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=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)