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	hartrees
Energy at 0K	-231.429146
Energy at 298.15K	-231.433449
HF Energy	-230.604825
Nuclear repulsion energy	188.703423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3178	3020	0.00
2	A₁'	1890	1796	0.00
3	A₁'	1483	1409	0.00
4	A₁'	790	751	0.00
5	A₁"	749	712	0.00
6	A₂'	3279	3116	0.00
7	A₂'	1089	1035	0.00
8	A₂'	489	465	0.00
9	A₂"	847	805	119.05
10	A₂"	196	187	7.18
11	E'	3279	3116	5.95
11	E'	3279	3116	5.95
12	E'	3177	3019	5.53
12	E'	3177	3019	5.53
13	E'	1669	1586	6.11
13	E'	1669	1586	6.11
14	E'	1450	1378	9.16
14	E'	1450	1378	9.16
15	E'	1126	1070	1.77
15	E'	1126	1070	1.77
16	E'	801	762	4.46
16	E'	801	762	4.46
17	E'	218	207	0.03
17	E'	218	207	0.03
18	E"	839	797	0.00
18	E"	839	797	0.00
19	E"	746	709	0.00
19	E"	746	709	0.00
20	E"	299	284	0.00
20	E"	299	284	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.836
C2	0.724	-0.418
C3	-0.724	-0.418
C4	0.000	2.176
C5	1.885	-1.088
C6	-1.885	-1.088
H7	-0.932	2.732
H8	0.932	2.732
H9	2.832	-0.558
H10	1.900	-2.174
H11	-1.900	-2.174
H12	-2.832	-0.558

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.4477	1.4477	1.3405	2.6933	2.6933	2.1130	2.1130	3.1568	3.5588	3.5588	3.1568
C2	1.4477		1.4477	2.6933	1.3405	2.6933	3.5588	3.1568	2.1130	2.1130	3.1568	3.5588
C3	1.4477	1.4477		2.6933	2.6933	1.3405	3.1568	3.5588	3.5588	3.1568	2.1130	2.1130
C4	1.3405	2.6933	2.6933		3.7695	3.7695	1.0855	1.0855	3.9370	4.7466	4.7466	3.9370
C5	2.6933	1.3405	2.6933	3.7695		3.7695	4.7466	3.9370	1.0855	1.0855	3.9370	4.7466
C6	2.6933	2.6933	1.3405	3.7695	3.7695		3.9370	4.7466	4.7466	3.9370	1.0855	1.0855
H7	2.1130	3.5588	3.1568	1.0855	4.7466	3.9370		1.8649	4.9999	5.6644	4.9999	3.7994
H8	2.1130	3.1568	3.5588	1.0855	3.9370	4.7466	1.8649		3.7994	4.9999	5.6644	4.9999
H9	3.1568	2.1130	3.5588	3.9370	1.0855	4.7466	4.9999	3.7994		1.8649	4.9999	5.6644
H10	3.5588	2.1130	3.1568	4.7466	1.0855	3.9370	5.6644	4.9999	1.8649		3.7994	4.9999
H11	3.5588	3.1568	2.1130	4.7466	3.9370	1.0855	4.9999	5.6644	4.9999	3.7994		1.8649
H12	3.1568	3.5588	2.1130	3.9370	4.7466	1.0855	3.7994	4.9999	5.6644	4.9999	1.8649

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	120.791	C1	C4	H8	120.791
C2	C1	C3	60.000	C2	C1	C4	150.000
C2	C3	C6	150.000	C2	C5	H9	120.791
C2	C5	H10	120.791	C3	C1	C4	150.000
C3	C2	C5	150.000	C3	C6	H11	120.791
C3	C6	H12	120.791	H7	C4	H8	118.418
H9	C5	H10	118.418	H11	C6	H12	118.418

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₆ (Trimethylenecycopropane)