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	hartrees
Energy at 0K	-314.290103
Energy at 298.15K
HF Energy	-313.573315
Nuclear repulsion energy	210.666458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3045	2926	5.45
2	A₁	2299	2210	1.01
3	A₁	854	821	11.98
4	A₁	581	559	0.08
5	A₁	191	184	15.44
6	A₂	420	404	0.00
7	E	2296	2206	7.80
7	E	2296	2206	7.80
8	E	1350	1297	0.02
8	E	1350	1297	0.02
9	E	1008	969	21.79
9	E	1008	969	21.79
10	E	612	588	0.04
10	E	612	588	0.04
11	E	419	402	0.00
11	E	419	402	0.00
12	E	155	148	5.21
12	E	155	148	5.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.541
H2	0.000	0.000	1.645
C3	0.000	1.412	0.068
C4	1.223	-0.706	0.068
C5	-1.223	-0.706	0.068
N6	0.000	2.528	-0.291
N7	2.189	-1.264	-0.291
N8	-2.189	-1.264	-0.291

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1038	1.4887	1.4887	1.4887	2.6615	2.6615	2.6615
H2	1.1038		2.1160	2.1160	2.1160	3.1842	3.1842	3.1842
C3	1.4887	2.1160		2.4451	2.4451	1.1728	3.4759	3.4759
C4	1.4887	2.1160	2.4451		2.4451	3.4759	1.1728	3.4759
C5	1.4887	2.1160	2.4451	2.4451		3.4759	3.4759	1.1728
N6	2.6615	3.1842	1.1728	3.4759	3.4759		4.3786	4.3786
N7	2.6615	3.1842	3.4759	1.1728	3.4759	4.3786		4.3786
N8	2.6615	3.1842	3.4759	3.4759	1.1728	4.3786	4.3786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.353	C1	C4	N7	179.353
C1	C5	N8	179.353	H2	C1	C3	108.508
H2	C1	C4	108.507	H2	C1	C5	108.507
C3	C1	C4	110.418	C3	C1	C5	110.418
C4	C1	C5	110.418

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

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

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