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	hartrees
Energy at 0K	-316.556814
Energy at 298.15K
HF Energy	-315.369106
Nuclear repulsion energy	213.674635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	2942	9.72
2	A₁	2408	2267	0.29
3	A₁	863	813	5.05
4	A₁	583	549	0.91
5	A₁	185	175	24.59
6	A₂	398	374	0.00
7	E	2407	2266	3.81
7	E	2407	2266	3.81
8	E	1333	1255	2.88
8	E	1333	1255	2.88
9	E	1065	1003	16.30
9	E	1065	1003	16.30
10	E	605	570	0.24
10	E	605	570	0.24
11	E	396	373	0.53
11	E	396	373	0.53
12	E	145	136	7.90
12	E	145	136	7.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.520
H2	0.000	0.000	1.612
C3	0.000	1.395	0.058
C4	1.208	-0.697	0.058
C5	-1.208	-0.697	0.058
N6	0.000	2.498	-0.275
N7	2.164	-1.249	-0.275
N8	-2.164	-1.249	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0927	1.4694	1.4694	1.4694	2.6216	2.6216	2.6216
H2	1.0927		2.0886	2.0886	2.0886	3.1310	3.1310	3.1310
C3	1.4694	2.0886		2.4162	2.4162	1.1525	3.4327	3.4327
C4	1.4694	2.0886	2.4162		2.4162	3.4327	1.1525	3.4327
C5	1.4694	2.0886	2.4162	2.4162		3.4327	3.4327	1.1525
N6	2.6216	3.1310	1.1525	3.4327	3.4327		4.3273	4.3273
N7	2.6216	3.1310	3.4327	1.1525	3.4327	4.3273		4.3273
N8	2.6216	3.1310	3.4327	3.4327	1.1525	4.3273	4.3273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.464	C1	C4	N7	178.464
C1	C5	N8	178.464	H2	C1	C3	108.315
H2	C1	C4	108.315	H2	C1	C5	108.315
C3	C1	C4	110.602	C3	C1	C5	110.602
C4	C1	C5	110.602

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

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