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	hartrees
Energy at 0K	-316.556521
Energy at 298.15K
HF Energy	-315.399494
Nuclear repulsion energy	211.776262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3090	2927	8.94	78.40	0.14	0.25
2	A₁	2194	2078	1.59	54.41	0.05	0.10
3	A₁	849	804	7.64	6.58	0.10	0.18
4	A₁	570	540	0.02	3.06	0.00	0.00
5	A₁	163	154	19.30	2.50	0.71	0.83
6	A₂	352	333	0.00	0.00	0.75	0.86
7	E	2202	2085	17.26	17.14	0.75	0.86
7	E	2202	2085	17.26	17.14	0.75	0.86
8	E	1319	1250	1.23	2.94	0.75	0.86
8	E	1319	1250	1.23	2.94	0.75	0.86
9	E	1045	990	15.99	2.00	0.75	0.86
9	E	1045	990	15.99	2.00	0.75	0.86
10	E	571	541	0.03	2.05	0.75	0.86
10	E	571	541	0.03	2.05	0.75	0.86
11	E	345	327	0.07	3.08	0.75	0.86
11	E	345	327	0.07	3.08	0.75	0.86
12	E	130	123	6.58	4.62	0.75	0.86
12	E	130	123	6.58	4.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.521
H2	0.000	0.000	1.619
C3	0.000	1.399	0.064
C4	1.212	-0.700	0.064
C5	-1.212	-0.700	0.064
N6	0.000	2.521	-0.281
N7	2.183	-1.260	-0.281
N8	-2.183	-1.260	-0.281

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0982	1.4719	1.4719	1.4719	2.6454	2.6454	2.6454
H2	1.0982		2.0921	2.0921	2.0921	3.1567	3.1567	3.1567
C3	1.4719	2.0921		2.4233	2.4233	1.1735	3.4581	3.4581
C4	1.4719	2.0921	2.4233		2.4233	3.4581	1.1735	3.4581
C5	1.4719	2.0921	2.4233	2.4233		3.4581	3.4581	1.1735
N6	2.6454	3.1567	1.1735	3.4581	3.4581		4.3663	4.3663
N7	2.6454	3.1567	3.4581	1.1735	3.4581	4.3663		4.3663
N8	2.6454	3.1567	3.4581	3.4581	1.1735	4.3663	4.3663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.976	C1	C4	N7	178.976
C1	C5	N8	178.976	H2	C1	C3	108.099
H2	C1	C4	108.099	H2	C1	C5	108.099
C3	C1	C4	110.807	C3	C1	C5	110.807
C4	C1	C5	110.808

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

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

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