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	hartrees
Energy at 0K	-316.341547
Energy at 298.15K
HF Energy	-315.343970
Nuclear repulsion energy	212.612302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	3158	7.90
2	A₁	2485	2485	0.06
3	A₁	868	868	7.69
4	A₁	585	585	0.32
5	A₁	170	170	22.70
6	A₂	350	350	0.00
7	E	2477	2477	1.89
7	E	2477	2477	1.89
8	E	1345	1345	3.90
8	E	1345	1345	3.90
9	E	1073	1073	21.79
9	E	1073	1073	21.79
10	E	584	584	0.01
10	E	584	584	0.01
11	E	354	354	0.33
11	E	354	354	0.33
12	E	133	133	7.45
12	E	133	133	7.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.512
H2	0.000	0.000	1.603
C3	0.000	1.407	0.059
C4	1.218	-0.703	0.059
C5	-1.218	-0.703	0.059
N6	0.000	2.514	-0.273
N7	2.177	-1.257	-0.273
N8	-2.177	-1.257	-0.273

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0914	1.4776	1.4776	1.4776	2.6333	2.6333	2.6333
H2	1.0914		2.0886	2.0886	2.0886	3.1368	3.1368	3.1368
C3	1.4776	2.0886		2.4362	2.4362	1.1559	3.4558	3.4558
C4	1.4776	2.0886	2.4362		2.4362	3.4558	1.1559	3.4558
C5	1.4776	2.0886	2.4362	2.4362		3.4558	3.4558	1.1559
N6	2.6333	3.1368	1.1559	3.4558	3.4558		4.3536	4.3536
N7	2.6333	3.1368	3.4558	1.1559	3.4558	4.3536		4.3536
N8	2.6333	3.1368	3.4558	3.4558	1.1559	4.3536	4.3536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.883	C1	C4	N7	178.883
C1	C5	N8	178.883	H2	C1	C3	107.838
H2	C1	C4	107.838	H2	C1	C5	107.838
C3	C1	C4	111.054	C3	C1	C5	111.054
C4	C1	C5	111.054

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

using model chemistry: MP3=FULL/6-31G**

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: MP3=FULL/6-31G**

States and conformations

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