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	hartrees
Energy at 0K	-316.315359
Energy at 298.15K
HF Energy	-315.339131
Nuclear repulsion energy	211.827275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2917	6.93
2	A₁	2394	2266	0.36
3	A₁	865	818	7.73
4	A₁	580	549	0.26
5	A₁	167	158	22.10
6	A₂	341	323	0.00
7	E	2394	2266	5.27
7	E	2394	2266	5.27
8	E	1341	1270	2.56
8	E	1341	1270	2.56
9	E	1061	1005	21.25
9	E	1061	1005	21.25
10	E	572	542	0.00
10	E	572	542	0.00
11	E	346	328	0.26
11	E	346	328	0.26
12	E	131	124	7.32
12	E	131	124	7.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.515
H2	0.000	0.000	1.616
C3	0.000	1.409	0.060
C4	1.220	-0.704	0.060
C5	-1.220	-0.704	0.060
N6	0.000	2.522	-0.276
N7	2.184	-1.261	-0.276
N8	-2.184	-1.261	-0.276

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1004	1.4804	1.4804	1.4804	2.6432	2.6432	2.6432
H2	1.1004		2.0988	2.0988	2.0988	3.1525	3.1525	3.1525
C3	1.4804	2.0988		2.4396	2.4396	1.1630	3.4655	3.4655
C4	1.4804	2.0988	2.4396		2.4397	3.4655	1.1630	3.4655
C5	1.4804	2.0988	2.4396	2.4397		3.4655	3.4655	1.1630
N6	2.6432	3.1525	1.1630	3.4655	3.4655		4.3683	4.3683
N7	2.6432	3.1525	3.4655	1.1630	3.4655	4.3683		4.3683
N8	2.6432	3.1525	3.4655	3.4655	1.1630	4.3683	4.3683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.845	C1	C4	N7	178.845
C1	C5	N8	178.845	H2	C1	C3	107.922
H2	C1	C4	107.922	H2	C1	C5	107.922
C3	C1	C4	110.975	C3	C1	C5	110.975
C4	C1	C5	110.975

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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