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	hartrees
Energy at 0K	-316.390731
Energy at 298.15K
HF Energy	-315.374447
Nuclear repulsion energy	210.568727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	2961	7.53
2	A₁	2336	2251	0.64
3	A₁	837	806	7.20
4	A₁	567	546	0.24
5	A₁	163	157	23.75
6	A₂	335	322	0.00
7	E	2336	2250	5.81
7	E	2336	2250	5.81
8	E	1290	1243	5.24
8	E	1290	1243	5.24
9	E	1040	1002	17.85
9	E	1040	1002	17.85
10	E	566	545	0.01
10	E	566	545	0.01
11	E	336	324	0.40
11	E	336	324	0.40
12	E	129	124	7.56
12	E	129	124	7.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.516
H2	0.000	0.000	1.621
C3	0.000	1.418	0.060
C4	1.228	-0.709	0.060
C5	-1.228	-0.709	0.060
N6	0.000	2.538	-0.276
N7	2.198	-1.269	-0.276
N8	-2.198	-1.269	-0.276

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1053	1.4898	1.4898	1.4898	2.6587	2.6587	2.6587
H2	1.1053		2.1096	2.1096	2.1096	3.1688	3.1688	3.1688
C3	1.4898	2.1096		2.4563	2.4563	1.1690	3.4878	3.4878
C4	1.4898	2.1096	2.4563		2.4563	3.4877	1.1690	3.4878
C5	1.4898	2.1096	2.4563	2.4563		3.4877	3.4878	1.1690
N6	2.6587	3.1688	1.1690	3.4877	3.4877		4.3960	4.3960
N7	2.6587	3.1688	3.4878	1.1690	3.4878	4.3960		4.3960
N8	2.6587	3.1688	3.4878	3.4878	1.1690	4.3960	4.3960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.831	C1	C4	N7	178.831
C1	C5	N8	178.831	H2	C1	C3	107.843
H2	C1	C4	107.843	H2	C1	C5	107.843
C3	C1	C4	111.049	C3	C1	C5	111.049
C4	C1	C5	111.049

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

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

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