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	hartrees
Energy at 0K	-316.618241
Energy at 298.15K
HF Energy	-315.446989
Nuclear repulsion energy	212.256213

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	3089	2939	12.51	81.84	0.11	0.20
2	A₁	2195	2088	1.48	77.64	0.04	0.08
3	A₁	840	799	6.36	7.02	0.08	0.14
4	A₁	567	539	0.11	3.80	0.00	0.00
5	A₁	160	152	22.15	2.10	0.70	0.83
6	A₂	344	327	0.00	0.00	0.75	0.86
7	E	2201	2095	14.77	18.36	0.75	0.86
7	E	2201	2095	14.77	18.36	0.75	0.86
8	E	1296	1234	2.50	2.37	0.75	0.86
8	E	1296	1234	2.50	2.37	0.75	0.86
9	E	1038	988	13.34	1.38	0.75	0.86
9	E	1038	988	13.34	1.38	0.75	0.86
10	E	565	538	0.00	1.54	0.75	0.86
10	E	565	538	0.00	1.54	0.75	0.86
11	E	338	321	0.22	2.14	0.75	0.86
11	E	338	321	0.22	2.14	0.75	0.86
12	E	128	122	7.16	3.97	0.75	0.86
12	E	128	122	7.16	3.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.519
H2	0.000	0.000	1.612
C3	0.000	1.397	0.063
C4	1.210	-0.699	0.063
C5	-1.210	-0.699	0.063
N6	0.000	2.516	-0.279
N7	2.179	-1.258	-0.279
N8	-2.179	-1.258	-0.279

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0939	1.4696	1.4696	1.4696	2.6392	2.6392	2.6392
H2	1.0939		2.0864	2.0864	2.0864	3.1475	3.1475	3.1475
C3	1.4696	2.0864		2.4200	2.4200	1.1697	3.4516	3.4516
C4	1.4696	2.0864	2.4200		2.4200	3.4516	1.1697	3.4516
C5	1.4696	2.0864	2.4200	2.4200		3.4516	3.4516	1.1697
N6	2.6392	3.1475	1.1697	3.4516	3.4516		4.3575	4.3575
N7	2.6392	3.1475	3.4516	1.1697	3.4516	4.3575		4.3575
N8	2.6392	3.1475	3.4516	3.4516	1.1697	4.3575	4.3575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.940	C1	C4	N7	178.940
C1	C5	N8	178.940	H2	C1	C3	108.057
H2	C1	C4	108.057	H2	C1	C5	108.057
C3	C1	C4	110.847	C3	C1	C5	110.847
C4	C1	C5	110.847

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

using model chemistry: MP2/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/Def2TZVPP

States and conformations

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