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	hartrees
Energy at 0K	-279.135142
Energy at 298.15K	-279.140645
HF Energy	-278.558062
Nuclear repulsion energy	205.488798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3256	3136	0.00
2	A₁'	1119	1078	0.00
3	A₁'	920	886	0.00
4	A₂'	1382	1331	0.00
5	A₂'	1050	1011	0.00
6	A₂"	875	843	5.34
7	A₂"	769	741	33.37
8	E'	3251	3131	14.76
8	E'	3251	3131	14.76
9	E'	1475	1420	21.98
9	E'	1475	1420	21.98
10	E'	1396	1345	77.16
10	E'	1396	1345	77.16
11	E'	1096	1056	0.00
11	E'	1096	1056	0.00
12	E'	661	637	16.43
12	E'	661	637	16.43
13	E"	945	910	0.00
13	E"	945	910	0.00
14	E"	367	354	0.00
14	E"	367	354	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.345
C2	1.164	-0.672
C3	-1.164	-0.672
N4	0.000	-1.412
N5	1.223	0.706
N6	-1.223	0.706
H7	0.000	2.433
H8	2.107	-1.217
H9	-2.107	-1.217

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.3289	2.3289	2.7562	1.3793	1.3793	1.0886	3.3166	3.3166
C2	2.3289		2.3289	1.3793	1.3793	2.7562	3.3166	1.0886	3.3166
C3	2.3289	2.3289		1.3793	2.7562	1.3793	3.3166	3.3166	1.0886
N4	2.7562	1.3793	1.3793		2.4451	2.4451	3.8448	2.1162	2.1162
N5	1.3793	1.3793	2.7562	2.4451		2.4451	2.1162	2.1162	3.8448
N6	1.3793	2.7562	1.3793	2.4451	2.4451		2.1162	3.8448	2.1162
H7	1.0886	3.3166	3.3166	3.8448	2.1162	2.1162		4.2144	4.2144
H8	3.3166	1.0886	3.3166	2.1162	2.1162	3.8448	4.2144		4.2144
H9	3.3166	3.3166	1.0886	2.1162	3.8448	2.1162	4.2144	4.2144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	115.172	C1	N6	C3	115.172
C2	N4	C3	115.172	N4	C2	N5	124.828
N4	C2	H8	117.586	N4	C3	N6	124.828
N4	C3	H9	117.586	N5	C1	N6	124.828
N5	C1	H7	117.586	N5	C2	H8	117.586
N6	C1	H7	117.586	N6	C3	H9	117.586

All results from a given calculation for C₃H₃N₃ (1,3,5-Triazine)

using model chemistry: MP2/LANL2DZ

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 C3H3N3 (1,3,5-Triazine)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₃H₃N₃ (1,3,5-Triazine)