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	hartrees
Energy at 0K	-316.324676
Energy at 298.15K
HF Energy	-315.366568
Nuclear repulsion energy	211.426300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3119	2957	7.84
2	A₁	2457	2329	0.09
3	A₁	852	807	8.22
4	A₁	580	549	0.07
5	A₁	167	158	19.87
6	A₂	349	331	0.00
7	E	2449	2321	2.31
7	E	2449	2321	2.31
8	E	1313	1244	5.15
8	E	1313	1244	5.15
9	E	1061	1006	20.89
9	E	1061	1006	20.89
10	E	580	549	0.01
10	E	580	549	0.01
11	E	348	330	0.19
11	E	348	330	0.19
12	E	132	126	6.59
12	E	132	126	6.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.513
H2	0.000	0.000	1.618
C3	0.000	1.416	0.060
C4	1.226	-0.708	0.060
C5	-1.226	-0.708	0.060
N6	0.000	2.527	-0.275
N7	2.189	-1.264	-0.275
N8	-2.189	-1.264	-0.275

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.1046	1.4867	1.4867	1.4867	2.6473	2.6473	2.6473
H2	1.1046		2.1053	2.1053	2.1053	3.1574	3.1574	3.1574
C3	1.4867	2.1053		2.4524	2.4524	1.1607	3.4761	3.4761
C4	1.4867	2.1053	2.4524		2.4524	3.4761	1.1607	3.4761
C5	1.4867	2.1053	2.4524	2.4524		3.4761	3.4761	1.1607
N6	2.6473	3.1574	1.1607	3.4761	3.4761		4.3776	4.3776
N7	2.6473	3.1574	3.4761	1.1607	3.4761	4.3776		4.3776
N8	2.6473	3.1574	3.4761	3.4761	1.1607	4.3776	4.3776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.980	C1	C4	N7	178.980
C1	C5	N8	178.980	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/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/cc-pVDZ

States and conformations

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