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	hartrees
Energy at 0K	-316.339746
Energy at 298.15K
HF Energy	-315.366876
Nuclear repulsion energy	211.591333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	2937	7.95
2	A₁	2460	2313	0.09
3	A₁	853	802	8.08
4	A₁	581	546	0.08
5	A₁	167	157	19.93
6	A₂	351	330	0.00
7	E	2452	2306	2.24
7	E	2452	2306	2.24
8	E	1315	1236	5.07
8	E	1315	1236	5.07
9	E	1063	1000	20.61
9	E	1063	1000	20.61
10	E	581	546	0.00
10	E	581	546	0.00
11	E	350	329	0.19
11	E	350	329	0.19
12	E	133	125	6.61
12	E	133	125	6.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.513
H2	0.000	0.000	1.616
C3	0.000	1.414	0.060
C4	1.225	-0.707	0.060
C5	-1.225	-0.707	0.060
N6	0.000	2.525	-0.275
N7	2.187	-1.263	-0.275
N8	-2.187	-1.263	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1037	1.4853	1.4853	1.4853	2.6453	2.6453	2.6453
H2	1.1037		2.1034	2.1034	2.1034	3.1549	3.1549	3.1549
C3	1.4853	2.1034		2.4500	2.4500	1.1601	3.4731	3.4731
C4	1.4853	2.1034	2.4500		2.4500	3.4731	1.1601	3.4731
C5	1.4853	2.1034	2.4500	2.4500		3.4731	3.4731	1.1601
N6	2.6453	3.1549	1.1601	3.4731	3.4731		4.3742	4.3742
N7	2.6453	3.1549	3.4731	1.1601	3.4731	4.3742		4.3742
N8	2.6453	3.1549	3.4731	3.4731	1.1601	4.3742	4.3742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.984	C1	C4	N7	178.984
C1	C5	N8	178.984	H2	C1	C3	107.758
H2	C1	C4	107.758	H2	C1	C5	107.758
C3	C1	C4	111.129	C3	C1	C5	111.129
C4	C1	C5	111.129

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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