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	hartrees
Energy at 0K	-316.497061
Energy at 298.15K
HF Energy	-315.366886
Nuclear repulsion energy	212.515524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	2940	8.95
2	A₁	2373	2249	0.27
3	A₁	850	805	5.32
4	A₁	576	545	0.66
5	A₁	170	161	24.26
6	A₂	355	337	0.00
7	E	2372	2247	3.67
7	E	2372	2247	3.67
8	E	1318	1249	3.10
8	E	1318	1249	3.10
9	E	1047	992	16.99
9	E	1047	992	16.99
10	E	577	547	0.09
10	E	577	547	0.09
11	E	357	338	0.55
11	E	357	338	0.55
12	E	134	127	7.80
12	E	134	127	7.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.513
H2	0.000	0.000	1.609
C3	0.000	1.405	0.059
C4	1.217	-0.703	0.059
C5	-1.217	-0.703	0.059
N6	0.000	2.514	-0.274
N7	2.177	-1.257	-0.274
N8	-2.177	-1.257	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0959	1.4769	1.4769	1.4769	2.6346	2.6346	2.6346
H2	1.0959		2.0922	2.0922	2.0922	3.1413	3.1413	3.1413
C3	1.4769	2.0922		2.4341	2.4341	1.1578	3.4555	3.4555
C4	1.4769	2.0922	2.4341		2.4341	3.4555	1.1578	3.4555
C5	1.4769	2.0922	2.4341	2.4341		3.4555	3.4555	1.1578
N6	2.6346	3.1413	1.1578	3.4555	3.4555		4.3547	4.3547
N7	2.6346	3.1413	3.4555	1.1578	3.4555	4.3547		4.3547
N8	2.6346	3.1413	3.4555	3.4555	1.1578	4.3547	4.3547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.819	C1	C4	N7	178.819
C1	C5	N8	178.819	H2	C1	C3	107.906
H2	C1	C4	107.906	H2	C1	C5	107.906
C3	C1	C4	110.990	C3	C1	C5	110.990
C4	C1	C5	110.990

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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