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	hartrees
Energy at 0K	-315.931754
Energy at 298.15K
HF Energy	-315.190952
Nuclear repulsion energy	206.422848

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	2961	1.08	88.68	0.13	0.23
2	A₁	2028	1958	2.93	40.47	0.03	0.07
3	A₁	834	806	19.34	9.21	0.09	0.17
4	A₁	549	530	0.34	6.11	0.00	0.01
5	A₁	161	155	15.39	2.87	0.71	0.83
6	A₂	344	332	0.00	0.00	0.75	0.86
7	E	2039	1968	23.19	10.11	0.75	0.86
7	E	2039	1968	23.19	10.11	0.75	0.86
8	E	1321	1276	0.61	3.85	0.75	0.86
8	E	1321	1276	0.61	3.85	0.75	0.86
9	E	994	960	21.71	4.43	0.75	0.86
9	E	994	960	21.71	4.43	0.75	0.86
10	E	556	537	0.69	2.06	0.75	0.86
10	E	556	537	0.69	2.06	0.75	0.86
11	E	335	324	0.06	4.22	0.75	0.86
11	E	335	324	0.06	4.22	0.75	0.86
12	E	130	126	5.52	5.69	0.75	0.86
12	E	130	126	5.52	5.69	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	1.428	0.068
C4	1.237	-0.714	0.068
C5	-1.237	-0.714	0.068
N6	0.000	2.588	-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		1.1069	1.5020	1.5020	1.5020	2.7154	2.7154	2.7154
H2	1.1069		2.1239	2.1239	2.1239	3.2274	3.2274	3.2274
C3	1.5020	2.1239		2.4737	2.4737	1.2135	3.5444	3.5444
C4	1.5020	2.1239	2.4737		2.4737	3.5444	1.2135	3.5444
C5	1.5020	2.1239	2.4737	2.4737		3.5444	3.5444	1.2135
N6	2.7154	3.2274	1.2135	3.5444	3.5444		4.4833	4.4833
N7	2.7154	3.2274	3.5444	1.2135	3.5444	4.4833		4.4833
N8	2.7154	3.2274	3.5444	3.5444	1.2135	4.4833	4.4833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.009	C1	C4	N7	179.009
C1	C5	N8	179.009	H2	C1	C3	108.035
H2	C1	C4	108.035	H2	C1	C5	108.035
C3	C1	C4	110.868	C3	C1	C5	110.868
C4	C1	C5	110.868

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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