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	hartrees
Energy at 0K	-317.029447
Energy at 298.15K
HF Energy	-316.645191
Nuclear repulsion energy	212.669928

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	3068	3068	7.51	81.05	0.14	0.25
2	A₁	2307	2307	0.38	90.58	0.06	0.11
3	A₁	847	847	6.92	6.90	0.12	0.21
4	A₁	574	574	0.15	3.54	0.00	0.00
5	A₁	168	168	20.65	2.76	0.71	0.83
6	A₂	359	359	0.00	0.00	0.75	0.86
7	E	2305	2305	5.57	26.42	0.75	0.86
7	E	2305	2305	5.58	26.42	0.75	0.86
8	E	1316	1316	2.16	3.10	0.75	0.86
8	E	1316	1316	2.16	3.10	0.75	0.86
9	E	1036	1036	19.72	2.19	0.75	0.86
9	E	1036	1036	19.72	2.19	0.75	0.86
10	E	578	578	0.00	2.51	0.75	0.86
10	E	578	578	0.00	2.51	0.75	0.86
11	E	356	356	0.14	3.64	0.75	0.86
11	E	356	356	0.13	3.64	0.75	0.86
12	E	134	134	6.85	5.10	0.75	0.86
12	E	134	134	6.85	5.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.508
H2	0.000	0.000	1.605
C3	0.000	1.403	0.060
C4	1.215	-0.702	0.060
C5	-1.215	-0.702	0.060
N6	0.000	2.513	-0.273
N7	2.177	-1.257	-0.273
N8	-2.177	-1.257	-0.273

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0965	1.4734	1.4734	1.4734	2.6319	2.6319	2.6319
H2	1.0965		2.0875	2.0875	2.0875	3.1372	3.1372	3.1372
C3	1.4734	2.0875		2.4306	2.4306	1.1587	3.4531	3.4531
C4	1.4734	2.0875	2.4306		2.4306	3.4531	1.1587	3.4531
C5	1.4734	2.0875	2.4306	2.4306		3.4531	3.4531	1.1587
N6	2.6319	3.1372	1.1587	3.4531	3.4531		4.3533	4.3533
N7	2.6319	3.1372	3.4531	1.1587	3.4531	4.3533		4.3533
N8	2.6319	3.1372	3.4531	3.4531	1.1587	4.3533	4.3533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.924	C1	C4	N7	178.924
C1	C5	N8	178.924	H2	C1	C3	107.737
H2	C1	C4	107.737	H2	C1	C5	107.737
C3	C1	C4	111.149	C3	C1	C5	111.149
C4	C1	C5	111.149

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

using model chemistry: B2PLYP=FULLultrafine/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 CH(CN)3 (tricyanomethane)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

States and conformations

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