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	hartrees
Energy at 0K	-316.394372
Energy at 298.15K
HF Energy	-315.373731
Nuclear repulsion energy	210.423743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	2978	7.30
2	A₁	2322	2250	0.53
3	A₁	835	809	7.13
4	A₁	565	548	0.25
5	A₁	163	158	23.87
6	A₂	334	324	0.00
7	E	2322	2250	4.87
7	E	2322	2250	4.87
8	E	1288	1247	5.10
8	E	1288	1247	5.10
9	E	1036	1004	17.46
9	E	1036	1004	17.46
10	E	565	547	0.01
10	E	565	547	0.01
11	E	336	325	0.40
11	E	336	325	0.40
12	E	129	125	7.58
12	E	129	125	7.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.517
H2	0.000	0.000	1.622
C3	0.000	1.419	0.060
C4	1.229	-0.709	0.060
C5	-1.229	-0.709	0.060
N6	0.000	2.540	-0.276
N7	2.200	-1.270	-0.276
N8	-2.200	-1.270	-0.276

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1053	1.4905	1.4905	1.4905	2.6607	2.6607	2.6607
H2	1.1053		2.1105	2.1105	2.1105	3.1707	3.1707	3.1707
C3	1.4905	2.1105		2.4571	2.4571	1.1703	3.4898	3.4898
C4	1.4905	2.1105	2.4571		2.4571	3.4898	1.1703	3.4898
C5	1.4905	2.1105	2.4571	2.4571		3.4898	3.4898	1.1703
N6	2.6607	3.1707	1.1703	3.4898	3.4898		4.3990	4.3990
N7	2.6607	3.1707	3.4898	1.1703	3.4898	4.3990		4.3990
N8	2.6607	3.1707	3.4898	3.4898	1.1703	4.3990	4.3990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.792	C1	C4	N7	178.792
C1	C5	N8	178.792	H2	C1	C3	107.869
H2	C1	C4	107.869	H2	C1	C5	107.869
C3	C1	C4	111.025	C3	C1	C5	111.025
C4	C1	C5	111.025

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

using model chemistry: QCISD/aug-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/aug-cc-pVDZ

States and conformations

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