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	hartrees
Energy at 0K	-315.925009
Energy at 298.15K
HF Energy	-315.190295
Nuclear repulsion energy	206.378123

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	3070	2957	0.92	88.81	0.13	0.23
2	A₁	2029	1954	2.97	40.09	0.03	0.07
3	A₁	835	804	19.28	9.21	0.10	0.17
4	A₁	549	529	0.32	6.08	0.00	0.01
5	A₁	161	155	15.45	2.88	0.71	0.83
6	A₂	345	332	0.00	0.00	0.75	0.86
7	E	2040	1965	23.24	10.11	0.75	0.86
7	E	2040	1965	23.24	10.11	0.75	0.86
8	E	1322	1273	0.62	3.84	0.75	0.86
8	E	1322	1273	0.62	3.84	0.75	0.86
9	E	995	958	21.66	4.50	0.75	0.86
9	E	995	958	21.66	4.50	0.75	0.86
10	E	556	536	0.68	2.07	0.75	0.86
10	E	556	536	0.68	2.07	0.75	0.86
11	E	336	324	0.06	4.25	0.75	0.86
11	E	336	324	0.06	4.25	0.75	0.86
12	E	130	126	5.53	5.73	0.75	0.86
12	E	130	126	5.53	5.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.533
H2	0.000	0.000	1.640
C3	0.000	1.429	0.068
C4	1.237	-0.714	0.068
C5	-1.237	-0.714	0.068
N6	0.000	2.589	-0.288
N7	2.242	-1.294	-0.288
N8	-2.242	-1.294	-0.288

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1070	1.5023	1.5023	1.5023	2.7160	2.7160	2.7160
H2	1.1070		2.1241	2.1241	2.1241	3.2279	3.2279	3.2279
C3	1.5023	2.1241		2.4744	2.4744	1.2138	3.5453	3.5453
C4	1.5023	2.1241	2.4744		2.4744	3.5453	1.2138	3.5453
C5	1.5023	2.1241	2.4744	2.4744		3.5453	3.5453	1.2138
N6	2.7160	3.2279	1.2138	3.5453	3.5453		4.4842	4.4842
N7	2.7160	3.2279	3.5453	1.2138	3.5453	4.4842		4.4843
N8	2.7160	3.2279	3.5453	3.5453	1.2138	4.4842	4.4843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.024	C1	C4	N7	179.024
C1	C5	N8	179.024	H2	C1	C3	108.028
H2	C1	C4	108.028	H2	C1	C5	108.028
C3	C1	C4	110.875	C3	C1	C5	110.875
C4	C1	C5	110.875

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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