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	hartrees
Energy at 0K	-314.277233
Energy at 298.15K
HF Energy	-313.575162
Nuclear repulsion energy	211.063378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3053	2920	4.89
2	A₁	2330	2229	1.06
3	A₁	861	824	11.76
4	A₁	586	561	0.12
5	A₁	192	184	15.85
6	A₂	423	404	0.00
7	E	2327	2225	8.01
7	E	2327	2225	8.01
8	E	1356	1297	0.01
8	E	1356	1297	0.01
9	E	1020	975	22.15
9	E	1020	975	22.15
10	E	617	590	0.00
10	E	617	590	0.00
11	E	421	402	0.00
11	E	421	402	0.00
12	E	155	148	5.39
12	E	155	148	5.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.539
H2	0.000	0.000	1.643
C3	0.000	1.410	0.068
C4	1.221	-0.705	0.068
C5	-1.221	-0.705	0.068
N6	0.000	2.523	-0.291
N7	2.185	-1.262	-0.291
N8	-2.185	-1.262	-0.291

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1035	1.4867	1.4867	1.4867	2.6562	2.6562	2.6562
H2	1.1035		2.1139	2.1139	2.1139	3.1789	3.1789	3.1789
C3	1.4867	2.1139		2.4422	2.4422	1.1695	3.4700	3.4700
C4	1.4867	2.1139	2.4422		2.4422	3.4700	1.1695	3.4700
C5	1.4867	2.1139	2.4422	2.4422		3.4700	3.4700	1.1695
N6	2.6562	3.1789	1.1695	3.4700	3.4700		4.3703	4.3703
N7	2.6562	3.1789	3.4700	1.1695	3.4700	4.3703		4.3703
N8	2.6562	3.1789	3.4700	3.4700	1.1695	4.3703	4.3703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.371	C1	C4	N7	179.371
C1	C5	N8	179.371	H2	C1	C3	108.487
H2	C1	C4	108.487	H2	C1	C5	108.487
C3	C1	C4	110.437	C3	C1	C5	110.437
C4	C1	C5	110.437

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

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

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