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	hartrees
Energy at 0K	-316.777714
Energy at 298.15K
HF Energy	-315.442875
Nuclear repulsion energy	212.996281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3070	2938
2	A₁	2314	2214
3	A₁	836	800
4	A₁	572	547
5	A₁	173	165
6	A₂	346	331
7	E	2317	2217
7	E	2317	2217
8	E	1304	1248
8	E	1304	1248
9	E	1041	996
9	E	1040	995
10	E	568	544
10	E	562	538
11	E	351	336
11	E	351	336
12	E	131	126
12	E	70	67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.508
H2	0.000	0.000	1.599
C3	0.000	1.400	0.058
C4	1.212	-0.700	0.058
C5	-1.212	-0.700	0.058
N6	0.000	2.510	-0.271
N7	2.174	-1.255	-0.271
N8	-2.174	-1.255	-0.271

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0914	1.4706	1.4706	1.4706	2.6283	2.6283	2.6283
H2	1.0914		2.0824	2.0824	2.0824	3.1304	3.1304	3.1304
C3	1.4706	2.0824		2.4248	2.4248	1.1579	3.4472	3.4472
C4	1.4706	2.0824	2.4248		2.4248	3.4472	1.1579	3.4472
C5	1.4706	2.0824	2.4248	2.4248		3.4472	3.4472	1.1579
N6	2.6283	3.1304	1.1579	3.4472	3.4472		4.3478	4.3478
N7	2.6283	3.1304	3.4472	1.1579	3.4472	4.3478		4.3478
N8	2.6283	3.1304	3.4472	3.4472	1.1579	4.3478	4.3478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.664	C1	C4	N7	178.664
C1	C5	N8	178.664	H2	C1	C3	107.829
H2	C1	C4	107.829	H2	C1	C5	107.829
C3	C1	C4	111.062	C3	C1	C5	111.062
C4	C1	C5	111.062

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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: QCISD(T)=FULL/cc-pVTZ

States and conformations

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