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	hartrees
Energy at 0K	-314.338171
Energy at 298.15K
HF Energy	-313.564661
Nuclear repulsion energy	209.641585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3031	2966
2	A₁	2128	2083
3	A₁	839	821
4	A₁	599	587
5	A₁	187	183
6	A₂	416	407
7	E	2141	2096
7	E	2141	2096
8	E	1336	1307
8	E	1336	1307
9	E	984	964
9	E	984	964
10	E	599	587
10	E	570	558
11	E	412	403
11	E	412	403
12	E	151	148
12	E	151	147

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.545
H2	0.000	0.000	1.651
C3	0.000	1.411	0.071
C4	1.222	-0.705	0.071
C5	-1.222	-0.705	0.071
N6	0.000	2.540	-0.295
N7	2.200	-1.270	-0.295
N8	-2.200	-1.270	-0.295

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1053	1.4887	1.4887	1.4887	2.6755	2.6755	2.6755
H2	1.1053		2.1183	2.1183	2.1183	3.1996	3.1996	3.1996
C3	1.4887	2.1183		2.4438	2.4438	1.1869	3.4872	3.4872
C4	1.4887	2.1183	2.4438		2.4438	3.4872	1.1869	3.4872
C5	1.4887	2.1183	2.4438	2.4438		3.4872	3.4872	1.1869
N6	2.6755	3.1996	1.1869	3.4872	3.4872		4.3996	4.3996
N7	2.6755	3.1996	3.4872	1.1869	3.4872	4.3996		4.3996
N8	2.6755	3.1996	3.4872	3.4872	1.1869	4.3996	4.3996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.336	C1	C4	N7	179.336
C1	C5	N8	179.336	H2	C1	C3	108.598
H2	C1	C4	108.598	H2	C1	C5	108.598
C3	C1	C4	110.330	C3	C1	C5	110.330
C4	C1	C5	110.330

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

using model chemistry: MP4=FULL/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: MP4=FULL/3-21G

States and conformations

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