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	hartrees
Energy at 0K	-316.336237
Energy at 298.15K
HF Energy	-315.351954
Nuclear repulsion energy	210.063636

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	3098	2950	7.47	82.81	0.15	0.26
2	A₁	2176	2073	1.71	50.35	0.06	0.11
3	A₁	838	798	7.30	6.88	0.09	0.16
4	A₁	564	538	0.00	3.10	0.00	0.00
5	A₁	159	151	17.49	2.33	0.71	0.83
6	A₂	342	325	0.00	0.00	0.75	0.86
7	E	2183	2080	18.39	16.77	0.75	0.86
7	E	2183	2080	18.39	16.77	0.75	0.86
8	E	1288	1226	2.93	2.97	0.75	0.86
8	E	1288	1226	2.93	2.97	0.75	0.86
9	E	1038	989	13.98	2.11	0.75	0.86
9	E	1038	989	13.98	2.11	0.75	0.86
10	E	561	534	0.11	1.65	0.75	0.86
10	E	561	534	0.11	1.65	0.75	0.86
11	E	335	319	0.07	2.72	0.75	0.86
11	E	335	319	0.07	2.72	0.75	0.86
12	E	127	121	5.91	4.34	0.75	0.86
12	E	127	121	5.91	4.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.523
H2	0.000	0.000	1.630
C3	0.000	1.409	0.065
C4	1.220	-0.704	0.065
C5	-1.220	-0.704	0.065
N6	0.000	2.542	-0.283
N7	2.201	-1.271	-0.283
N8	-2.201	-1.271	-0.283

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1065	1.4812	1.4812	1.4812	2.6668	2.6668	2.6668
H2	1.1065		2.1053	2.1053	2.1053	3.1814	3.1814	3.1814
C3	1.4812	2.1053		2.4397	2.4397	1.1857	3.4853	3.4853
C4	1.4812	2.1053	2.4397		2.4397	3.4853	1.1857	3.4853
C5	1.4812	2.1053	2.4397	2.4397		3.4853	3.4853	1.1857
N6	2.6668	3.1814	1.1857	3.4853	3.4853		4.4027	4.4027
N7	2.6668	3.1814	3.4853	1.1857	3.4853	4.4027		4.4027
N8	2.6668	3.1814	3.4853	3.4853	1.1857	4.4027	4.4027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.073	C1	C4	N7	179.073
C1	C5	N8	179.073	H2	C1	C3	108.018
H2	C1	C4	108.018	H2	C1	C5	108.018
C3	C1	C4	110.885	C3	C1	C5	110.885
C4	C1	C5	110.885

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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