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	hartrees
Energy at 0K	-317.031184
Energy at 298.15K	-317.023692
HF Energy	-315.346967
Nuclear repulsion energy	214.577359

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	3249	3061	9.88	77.21	0.18	0.31
2	A₁	2649	2496	0.10	92.98	0.06	0.12
3	A₁	926	872	7.77	7.48	0.18	0.30
4	A₁	619	583	1.71	3.07	0.01	0.02
5	A₁	189	178	28.89	3.06	0.70	0.83
6	A₂	405	382	0.00	0.00	0.75	0.86
7	E	2646	2493	0.30	29.46	0.75	0.86
7	E	2646	2493	0.30	29.46	0.75	0.86
8	E	1436	1353	6.36	3.20	0.75	0.86
8	E	1436	1353	6.36	3.20	0.75	0.86
9	E	1116	1052	35.51	3.50	0.75	0.86
9	E	1116	1052	35.51	3.50	0.75	0.86
10	E	639	602	0.66	4.31	0.75	0.86
10	E	639	602	0.66	4.31	0.75	0.86
11	E	406	382	0.80	5.17	0.75	0.86
11	E	406	382	0.80	5.17	0.75	0.86
12	E	149	141	9.29	5.64	0.75	0.86
12	E	149	141	9.29	5.64	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.522
H2	0.000	0.000	1.622
C3	0.000	1.400	0.064
C4	1.212	-0.700	0.064
C5	-1.212	-0.700	0.064
N6	0.000	2.528	-0.281
N7	2.189	-1.264	-0.281
N8	-2.189	-1.264	-0.281

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1000	1.4728	1.4728	1.4728	2.6525	2.6525	2.6525
H2	1.1000		2.0947	2.0947	2.0947	3.1644	3.1644	3.1644
C3	1.4728	2.0947		2.4241	2.4241	1.1799	3.4650	3.4650
C4	1.4728	2.0947	2.4241		2.4241	3.4650	1.1799	3.4650
C5	1.4728	2.0947	2.4241	2.4241		3.4650	3.4650	1.1799
N6	2.6525	3.1644	1.1799	3.4650	3.4650		4.3785	4.3785
N7	2.6525	3.1644	3.4650	1.1799	3.4650	4.3785		4.3785
N8	2.6525	3.1644	3.4650	3.4650	1.1799	4.3785	4.3785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.647	C1	C4	N7	178.647
C1	C5	N8	178.647	H2	C1	C3	107.856
H2	C1	C4	107.856	H2	C1	C5	107.856
C3	C1	C4	111.037	C3	C1	C5	111.037
C4	C1	C5	111.037

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

using model chemistry: G3

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: G3

States and conformations

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