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	hartrees
Energy at 0K	-279.836340
Energy at 298.15K	-279.841993
HF Energy	-278.797187
Nuclear repulsion energy	212.019399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3229	3072	0.00
2	A₁'	1144	1089	0.00
3	A₁'	1010	961	0.00
4	A₂'	1411	1343	0.00
5	A₂'	1242	1181	0.00
6	A₂"	934	889	1.14
7	A₂"	770	732	28.07
8	E'	3225	3068	15.20
8	E'	3225	3068	15.20
9	E'	1599	1521	93.16
9	E'	1599	1521	93.16
10	E'	1453	1382	50.12
10	E'	1453	1382	50.12
11	E'	1200	1142	0.30
11	E'	1200	1142	0.30
12	E'	683	650	17.46
12	E'	683	650	17.46
13	E"	1035	984	0.00
13	E"	1035	984	0.00
14	E"	356	339	0.00
14	E"	356	339	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.397
C2	1.210	-0.699
C3	-1.210	-0.699
N4	0.000	-1.439
N5	1.246	0.719
N6	-1.246	0.719
H7	0.000	2.428
H8	2.103	-1.214
H9	-2.103	-1.214

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.4203	2.4203	2.8359	1.4184	1.4184	1.0307	3.3528	3.3528
C2	2.4203		2.4203	1.4184	1.4184	2.8359	3.3528	1.0307	3.3528
C3	2.4203	2.4203		1.4184	2.8359	1.4184	3.3528	3.3528	1.0307
N4	2.8359	1.4184	1.4184		2.4916	2.4916	3.8666	2.1147	2.1147
N5	1.4184	1.4184	2.8359	2.4916		2.4916	2.1147	2.1147	3.8666
N6	1.4184	2.8359	1.4184	2.4916	2.4916		2.1147	3.8666	2.1147
H7	1.0307	3.3528	3.3528	3.8666	2.1147	2.1147		4.2055	4.2055
H8	3.3528	1.0307	3.3528	2.1147	2.1147	3.8666	4.2055		4.2055
H9	3.3528	3.3528	1.0307	2.1147	3.8666	2.1147	4.2055	4.2055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	117.119	C1	N6	C3	117.119
C2	N4	C3	117.119	N4	C2	N5	122.881
N4	C2	H8	118.560	N4	C3	N6	122.881
N4	C3	H9	118.560	N5	C1	N6	122.881
N5	C1	H7	118.560	N5	C2	H8	118.560
N6	C1	H7	118.560	N6	C3	H9	118.560

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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