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	hartrees
Energy at 0K	-316.836120
Energy at 298.15K
HF Energy	-315.447546
Nuclear repulsion energy	211.962811

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3056	3056
2	A₁	2169	2169
3	A₁	830	830
4	A₁	558	558
5	A₁	162	162
6	A₂	343	343
7	E	2185	2185
7	E	2185	2185
8	E	1294	1294
8	E	1294	1294
9	E	1024	1024
9	E	1024	1024
10	E	556	556
10	E	556	556
11	E	338	338
11	E	338	338
12	E	131	131
12	E	129	129

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.517
H2	0.000	0.000	1.611
C3	0.000	1.401	0.061
C4	1.213	-0.701	0.061
C5	-1.213	-0.701	0.061
N6	0.000	2.521	-0.276
N7	2.183	-1.260	-0.276
N8	-2.183	-1.260	-0.276

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0944	1.4736	1.4736	1.4736	2.6424	2.6424	2.6424
H2	1.0944		2.0899	2.0899	2.0899	3.1490	3.1490	3.1490
C3	1.4736	2.0899		2.4270	2.4270	1.1690	3.4586	3.4586
C4	1.4736	2.0899	2.4270		2.4270	3.4586	1.1690	3.4586
C5	1.4736	2.0899	2.4270	2.4270		3.4586	3.4586	1.1690
N6	2.6424	3.1490	1.1690	3.4586	3.4586		4.3658	4.3658
N7	2.6424	3.1490	3.4586	1.1690	3.4586	4.3658		4.3658
N8	2.6424	3.1490	3.4586	3.4586	1.1690	4.3658	4.3658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.717	C1	C4	N7	178.717
C1	C5	N8	178.717	H2	C1	C3	108.034
H2	C1	C4	108.034	H2	C1	C5	108.034
C3	C1	C4	110.870	C3	C1	C5	110.870
C4	C1	C5	110.870

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

using model chemistry: MP4=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: MP4=FULL/Def2TZVPP

States and conformations

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