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	hartrees
Energy at 0K	-315.909154
Energy at 298.15K
HF Energy	-315.164183
Nuclear repulsion energy	207.907914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3042	2911	3.64	79.82	0.18	0.30
2	A₁	2083	1993	1.88	27.96	0.06	0.11
3	A₁	832	796	12.75	6.89	0.13	0.23
4	A₁	553	529	0.08	4.24	0.00	0.00
5	A₁	150	144	17.13	2.67	0.71	0.83
6	A₂	301	288	0.00	0.00	0.75	0.86
7	E	2089	1999	19.30	11.17	0.75	0.86
7	E	2089	1999	19.30	11.17	0.75	0.86
8	E	1337	1280	0.30	4.71	0.75	0.86
8	E	1337	1280	0.30	4.71	0.75	0.86
9	E	1000	957	17.99	3.34	0.75	0.86
9	E	1000	957	17.99	3.34	0.75	0.86
10	E	532	509	0.57	1.98	0.75	0.86
10	E	532	509	0.57	1.98	0.75	0.86
11	E	299	286	0.00	4.35	0.75	0.86
11	E	299	286	0.00	4.35	0.75	0.86
12	E	120	115	5.89	5.61	0.75	0.86
12	E	120	115	5.89	5.61	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.516
H2	0.000	0.000	1.621
C3	0.000	1.421	0.062
C4	1.231	-0.710	0.062
C5	-1.231	-0.710	0.062
N6	0.000	2.574	-0.277
N7	2.229	-1.287	-0.277
N8	-2.229	-1.287	-0.277

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1050	1.4916	1.4916	1.4916	2.6936	2.6936	2.6936
H2	1.1050		2.1092	2.1092	2.1092	3.1982	3.1982	3.1982
C3	1.4916	2.1092		2.4612	2.4612	1.2021	3.5240	3.5240
C4	1.4916	2.1092	2.4612		2.4612	3.5240	1.2021	3.5240
C5	1.4916	2.1092	2.4612	2.4612		3.5240	3.5240	1.2021
N6	2.6936	3.1982	1.2021	3.5240	3.5240		4.4586	4.4586
N7	2.6936	3.1982	3.5240	1.2021	3.5240	4.4586		4.4586
N8	2.6936	3.1982	3.5240	3.5240	1.2021	4.4586	4.4586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.681	C1	C4	N7	178.681
C1	C5	N8	178.681	H2	C1	C3	107.710
H2	C1	C4	107.710	H2	C1	C5	107.710
C3	C1	C4	111.173	C3	C1	C5	111.173
C4	C1	C5	111.173

All results from a given calculation for CH(CN)₃ (tricyanomethane)

using model chemistry: MP2/6-31G

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 CH(CN)3 (tricyanomethane)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for CH(CN)₃ (tricyanomethane)