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	hartrees
Energy at 0K	-316.748601
Energy at 298.15K
HF Energy	-315.448671
Nuclear repulsion energy	212.670761

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	3091	3091	12.86	81.34	0.11	0.20
2	A₁	2205	2205	1.40	77.97	0.04	0.08
3	A₁	842	842	6.11	7.00	0.07	0.14
4	A₁	568	568	0.13	3.69	0.00	0.00
5	A₁	161	161	22.36	2.09	0.70	0.83
6	A₂	347	347	0.00	0.00	0.75	0.86
7	E	2212	2212	14.04	18.42	0.75	0.86
7	E	2212	2212	14.04	18.42	0.75	0.86
8	E	1302	1302	2.31	2.34	0.75	0.86
8	E	1302	1302	2.31	2.34	0.75	0.86
9	E	1043	1043	13.10	1.35	0.75	0.86
9	E	1043	1043	13.10	1.35	0.75	0.86
10	E	565	565	0.00	1.56	0.75	0.86
10	E	565	565	0.00	1.56	0.75	0.86
11	E	341	341	0.23	2.13	0.75	0.86
11	E	341	341	0.23	2.13	0.75	0.86
12	E	129	129	7.22	3.93	0.75	0.86
12	E	129	129	7.22	3.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.517
H2	0.000	0.000	1.609
C3	0.000	1.395	0.063
C4	1.208	-0.697	0.063
C5	-1.208	-0.697	0.063
N6	0.000	2.511	-0.278
N7	2.175	-1.255	-0.278
N8	-2.175	-1.255	-0.278

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0919	1.4670	1.4670	1.4670	2.6340	2.6340	2.6340
H2	1.0919		2.0827	2.0827	2.0827	3.1413	3.1413	3.1413
C3	1.4670	2.0827		2.4159	2.4159	1.1671	3.4451	3.4451
C4	1.4670	2.0827	2.4159		2.4159	3.4451	1.1671	3.4451
C5	1.4670	2.0827	2.4159	2.4159		3.4451	3.4451	1.1671
N6	2.6340	3.1413	1.1671	3.4451	3.4451		4.3492	4.3492
N7	2.6340	3.1413	3.4451	1.1671	3.4451	4.3492		4.3492
N8	2.6340	3.1413	3.4451	3.4451	1.1671	4.3492	4.3492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.926	C1	C4	N7	178.926
C1	C5	N8	178.926	H2	C1	C3	108.055
H2	C1	C4	108.055	H2	C1	C5	108.055
C3	C1	C4	110.850	C3	C1	C5	110.850
C4	C1	C5	110.850

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

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

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