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	hartrees
Energy at 0K	-316.330823
Energy at 298.15K
HF Energy	-315.337274
Nuclear repulsion energy	211.410067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2930	6.49
2	A₁	2360	2247	0.30
3	A₁	858	817	7.77
4	A₁	575	548	0.22
5	A₁	166	158	21.76
6	A₂	338	322	0.00
7	E	2359	2247	4.59
7	E	2359	2247	4.59
8	E	1335	1271	2.35
8	E	1335	1271	2.35
9	E	1051	1001	20.27
9	E	1051	1001	20.27
10	E	567	540	0.00
10	E	567	540	0.00
11	E	343	327	0.23
11	E	343	327	0.23
12	E	130	124	7.18
12	E	130	124	7.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.516
H2	0.000	0.000	1.617
C3	0.000	1.410	0.060
C4	1.221	-0.705	0.060
C5	-1.221	-0.705	0.060
N6	0.000	2.527	-0.276
N7	2.189	-1.264	-0.276
N8	-2.189	-1.264	-0.276

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1006	1.4821	1.4821	1.4821	2.6486	2.6486	2.6486
H2	1.1006		2.1004	2.1004	2.1004	3.1576	3.1576	3.1576
C3	1.4821	2.1004		2.4425	2.4425	1.1666	3.4717	3.4717
C4	1.4821	2.1004	2.4425		2.4425	3.4717	1.1666	3.4717
C5	1.4821	2.1004	2.4425	2.4425		3.4717	3.4717	1.1666
N6	2.6486	3.1576	1.1666	3.4717	3.4717		4.3773	4.3773
N7	2.6486	3.1576	3.4717	1.1666	3.4717	4.3773		4.3773
N8	2.6486	3.1576	3.4717	3.4717	1.1666	4.3773	4.3773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.838	C1	C4	N7	178.838
C1	C5	N8	178.838	H2	C1	C3	107.922
H2	C1	C4	107.922	H2	C1	C5	107.922
C3	C1	C4	110.975	C3	C1	C5	110.975
C4	C1	C5	110.975

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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