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	hartrees
Energy at 0K	-314.303689
Energy at 298.15K
HF Energy	-313.563663
Nuclear repulsion energy	209.859328

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	3084	2945	7.05	72.15	0.21	0.34
2	A₁	2131	2035	2.94	22.14	0.06	0.11
3	A₁	852	814	10.82	6.30	0.15	0.26
4	A₁	578	552	0.01	3.89	0.00	0.00
5	A₁	189	181	14.31	2.33	0.71	0.83
6	A₂	421	402	0.00	0.00	0.75	0.86
7	E	2133	2037	20.88	9.64	0.75	0.86
7	E	2133	2037	20.88	9.64	0.75	0.86
8	E	1357	1295	0.06	4.91	0.75	0.86
8	E	1357	1295	0.06	4.91	0.75	0.86
9	E	1002	957	16.17	3.30	0.75	0.86
9	E	1002	957	16.17	3.30	0.75	0.86
10	E	608	581	0.14	2.12	0.75	0.86
10	E	608	581	0.14	2.12	0.75	0.86
11	E	415	396	0.02	3.15	0.75	0.86
11	E	415	396	0.02	3.15	0.75	0.86
12	E	153	146	4.99	4.21	0.75	0.86
12	E	153	146	4.99	4.21	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.541
H2	0.000	0.000	1.642
C3	0.000	1.407	0.070
C4	1.218	-0.703	0.070
C5	-1.218	-0.703	0.070
N6	0.000	2.539	-0.293
N7	2.199	-1.269	-0.293
N8	-2.199	-1.269	-0.293

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1012	1.4837	1.4837	1.4837	2.6725	2.6725	2.6725
H2	1.1012		2.1098	2.1098	2.1098	3.1926	3.1926	3.1926
C3	1.4837	2.1098		2.4368	2.4368	1.1889	3.4828	3.4828
C4	1.4837	2.1098	2.4368		2.4368	3.4828	1.1889	3.4828
C5	1.4837	2.1098	2.4368	2.4368		3.4828	3.4828	1.1889
N6	2.6725	3.1926	1.1889	3.4828	3.4828		4.3977	4.3977
N7	2.6725	3.1926	3.4828	1.1889	3.4828	4.3977		4.3977
N8	2.6725	3.1926	3.4828	3.4828	1.1889	4.3977	4.3977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.279	C1	C4	N7	179.279
C1	C5	N8	179.279	H2	C1	C3	108.511
H2	C1	C4	108.511	H2	C1	C5	108.511
C3	C1	C4	110.415	C3	C1	C5	110.415
C4	C1	C5	110.415

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G

States and conformations

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