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	hartrees
Energy at 0K	-316.673798
Energy at 298.15K
HF Energy	-315.440738
Nuclear repulsion energy	212.077729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3064	2907
2	A₁	2296	2178
3	A₁	832	789
4	A₁	563	534
5	A₁	160	152
6	A₂	335	318
7	E	2295	2177
7	E	2295	2177
8	E	1296	1229
8	E	1296	1229
9	E	1027	974
9	E	1027	974
10	E	563	534
10	E	562	533
11	E	334	317
11	E	334	317
12	E	127	121
12	E	127	121

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.514
H2	0.000	0.000	1.609
C3	0.000	1.407	0.060
C4	1.218	-0.703	0.060
C5	-1.218	-0.703	0.060
N6	0.000	2.520	-0.274
N7	2.182	-1.260	-0.274
N8	-2.182	-1.260	-0.274

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0948	1.4785	1.4785	1.4785	2.6402	2.6402	2.6402
H2	1.0948		2.0926	2.0926	2.0926	3.1456	3.1456	3.1456
C3	1.4785	2.0926		2.4370	2.4370	1.1618	3.4620	3.4620
C4	1.4785	2.0926	2.4370		2.4370	3.4620	1.1618	3.4620
C5	1.4785	2.0926	2.4370	2.4370		3.4620	3.4620	1.1618
N6	2.6402	3.1456	1.1618	3.4620	3.4620		4.3643	4.3643
N7	2.6402	3.1456	3.4620	1.1618	3.4620	4.3643		4.3643
N8	2.6402	3.1456	3.4620	3.4620	1.1618	4.3643	4.3643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.817	C1	C4	N7	178.817
C1	C5	N8	178.817	H2	C1	C3	107.893
H2	C1	C4	107.893	H2	C1	C5	107.893
C3	C1	C4	111.002	C3	C1	C5	111.002
C4	C1	C5	111.002

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

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

States and conformations

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