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	hartrees
Energy at 0K	-316.394163
Energy at 298.15K
HF Energy	-315.357697
Nuclear repulsion energy	209.922926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3069	2925
2	A₁	2281	2174
3	A₁	827	789
4	A₁	559	533
5	A₁	159	151
6	A₂	331	315
7	E	2281	2174
7	E	2281	2174
8	E	1285	1225
8	E	1285	1225
9	E	1027	978
9	E	1027	978
10	E	555	529
10	E	554	528
11	E	330	314
11	E	329	314
12	E	127	121
12	E	126	120

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.521
H2	0.000	0.000	1.630
C3	0.000	1.418	0.063
C4	1.228	-0.709	0.063
C5	-1.228	-0.709	0.063
N6	0.000	2.544	-0.280
N7	2.203	-1.272	-0.280
N8	-2.203	-1.272	-0.280

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1086	1.4908	1.4908	1.4908	2.6676	2.6676	2.6676
H2	1.1086		2.1140	2.1140	2.1140	3.1816	3.1816	3.1816
C3	1.4908	2.1140		2.4569	2.4569	1.1769	3.4946	3.4946
C4	1.4908	2.1140	2.4569		2.4569	3.4946	1.1769	3.4946
C5	1.4908	2.1140	2.4569	2.4569		3.4946	3.4946	1.1769
N6	2.6676	3.1816	1.1769	3.4946	3.4946		4.4069	4.4069
N7	2.6676	3.1816	3.4946	1.1769	3.4946	4.4069		4.4069
N8	2.6676	3.1816	3.4946	3.4946	1.1769	4.4069	4.4069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.013	C1	C4	N7	179.013
C1	C5	N8	179.013	H2	C1	C3	107.923
H2	C1	C4	107.923	H2	C1	C5	107.923
C3	C1	C4	110.974	C3	C1	C5	110.974
C4	C1	C5	110.974

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

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