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	hartrees
Energy at 0K	-316.437556
Energy at 298.15K
HF Energy	-315.439989
Nuclear repulsion energy	213.660379

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	2921	9.35
2	A₁	2483	2322	0.18
3	A₁	869	813	8.87
4	A₁	588	550	0.22
5	A₁	169	158	22.44
6	A₂	347	324	0.00
7	E	2475	2314	2.17
7	E	2475	2314	2.17
8	E	1334	1247	4.48
8	E	1334	1247	4.48
9	E	1066	997	21.96
9	E	1066	997	21.96
10	E	590	551	0.01
10	E	590	551	0.01
11	E	350	327	0.25
11	E	350	327	0.25
12	E	133	125	7.36
12	E	133	125	7.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.509
H2	0.000	0.000	1.602
C3	0.000	1.403	0.059
C4	1.215	-0.702	0.059
C5	-1.215	-0.702	0.059
N6	0.000	2.501	-0.272
N7	2.166	-1.250	-0.272
N8	-2.166	-1.250	-0.272

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0927	1.4738	1.4738	1.4738	2.6198	2.6198	2.6198
H2	1.0927		2.0859	2.0859	2.0859	3.1249	3.1249	3.1249
C3	1.4738	2.0859		2.4304	2.4304	1.1461	3.4410	3.4410
C4	1.4738	2.0859	2.4304		2.4304	3.4410	1.1461	3.4410
C5	1.4738	2.0859	2.4304	2.4304		3.4410	3.4410	1.1461
N6	2.6198	3.1249	1.1461	3.4410	3.4410		4.3313	4.3313
N7	2.6198	3.1249	3.4410	1.1461	3.4410	4.3313		4.3313
N8	2.6198	3.1249	3.4410	3.4410	1.1461	4.3313	4.3313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.951	C1	C4	N7	178.951
C1	C5	N8	178.951	H2	C1	C3	107.808
H2	C1	C4	107.808	H2	C1	C5	107.808
C3	C1	C4	111.082	C3	C1	C5	111.082
C4	C1	C5	111.082

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

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

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