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	hartrees
Energy at 0K	-316.356217
Energy at 298.15K
HF Energy	-315.338640
Nuclear repulsion energy	211.833884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2925	7.02
2	A₁	2382	2263	0.37
3	A₁	862	819	7.65
4	A₁	578	549	0.24
5	A₁	169	161	21.80
6	A₂	347	330	0.00
7	E	2382	2262	5.30
7	E	2382	2262	5.30
8	E	1339	1272	2.34
8	E	1339	1272	2.34
9	E	1058	1005	20.39
9	E	1058	1005	20.39
10	E	575	546	0.00
10	E	575	546	0.00
11	E	352	334	0.24
11	E	352	334	0.24
12	E	132	126	7.21
12	E	132	126	7.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.516
H2	0.000	0.000	1.617
C3	0.000	1.407	0.060
C4	1.219	-0.704	0.060
C5	-1.219	-0.704	0.060
N6	0.000	2.522	-0.276
N7	2.184	-1.261	-0.276
N8	-2.184	-1.261	-0.276

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1002	1.4795	1.4795	1.4795	2.6433	2.6433	2.6433
H2	1.1002		2.0984	2.0984	2.0984	3.1530	3.1530	3.1530
C3	1.4795	2.0984		2.4376	2.4376	1.1640	3.4644	3.4644
C4	1.4795	2.0984	2.4376		2.4376	3.4644	1.1640	3.4644
C5	1.4795	2.0984	2.4376	2.4376		3.4644	3.4644	1.1640
N6	2.6433	3.1530	1.1640	3.4644	3.4644		4.3678	4.3678
N7	2.6433	3.1530	3.4644	1.1640	3.4644	4.3678		4.3678
N8	2.6433	3.1530	3.4644	3.4644	1.1640	4.3678	4.3678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.819	C1	C4	N7	178.819
C1	C5	N8	178.819	H2	C1	C3	107.964
H2	C1	C4	107.964	H2	C1	C5	107.964
C3	C1	C4	110.935	C3	C1	C5	110.935
C4	C1	C5	110.935

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

using model chemistry: CCSD=FULL/6-31G*

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: CCSD=FULL/6-31G*

States and conformations

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