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	hartrees
Energy at 0K	-316.402449
Energy at 298.15K
HF Energy	-315.334824
Nuclear repulsion energy	211.161432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3053	2964
2	A₁	2318	2250
3	A₁	848	823
4	A₁	567	550
5	A₁	163	159
6	A₂	331	322
7	E	2317	2249
7	E	2317	2249
8	E	1320	1282
8	E	1320	1282
9	E	1040	1009
9	E	1040	1009
10	E	559	543
10	E	559	543
11	E	338	328
11	E	338	328
12	E	128	124
12	E	127	123

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.519
H2	0.000	0.000	1.621
C3	0.000	1.409	0.060
C4	1.220	-0.704	0.060
C5	-1.220	-0.704	0.060
N6	0.000	2.530	-0.277
N7	2.191	-1.265	-0.277
N8	-2.191	-1.265	-0.277

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1023	1.4814	1.4814	1.4814	2.6522	2.6522	2.6522
H2	1.1023		2.1025	2.1025	2.1025	3.1629	3.1629	3.1629
C3	1.4814	2.1025		2.4398	2.4398	1.1709	3.4730	3.4730
C4	1.4814	2.1025	2.4398		2.4398	3.4730	1.1709	3.4730
C5	1.4814	2.1025	2.4398	2.4398		3.4730	3.4730	1.1709
N6	2.6522	3.1629	1.1709	3.4730	3.4730		4.3819	4.3819
N7	2.6522	3.1629	3.4730	1.1709	3.4730	4.3819		4.3819
N8	2.6522	3.1629	3.4730	3.4730	1.1709	4.3819	4.3819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.721	C1	C4	N7	178.721
C1	C5	N8	178.721	H2	C1	C3	108.032
H2	C1	C4	108.032	H2	C1	C5	108.032
C3	C1	C4	110.871	C3	C1	C5	110.871
C4	C1	C5	110.871

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/6-31G*

States and conformations

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