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	hartrees
Energy at 0K	-279.744830
Energy at 298.15K	-279.750469
HF Energy	-278.748303
Nuclear repulsion energy	211.509426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3229	3058	0.00
2	A₁'	1146	1085	0.00
3	A₁'	1019	965	0.00
4	A₂'	1412	1338	0.00
5	A₂'	1238	1172	0.00
6	A₂"	921	872	1.51
7	A₂"	768	727	33.43
8	E'	3226	3055	20.75
8	E'	3226	3055	20.75
9	E'	1611	1526	83.08
9	E'	1611	1526	83.08
10	E'	1455	1378	52.86
10	E'	1455	1378	52.86
11	E'	1207	1143	0.30
11	E'	1207	1143	0.30
12	E'	686	650	17.99
12	E'	686	650	17.99
13	E"	1014	961	0.00
13	E"	1014	961	0.00
14	E"	354	336	0.00
14	E"	354	336	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.295
C2	1.121	-0.647
C3	-1.121	-0.647
N4	0.000	-1.376
N5	1.192	0.688
N6	-1.192	0.688
H7	0.000	2.382
H8	2.063	-1.191
H9	-2.063	-1.191

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2429	2.2429	2.6713	1.3375	1.3375	1.0868	3.2301	3.2301
C2	2.2429		2.2429	1.3375	1.3375	2.6713	3.2301	1.0868	3.2301
C3	2.2429	2.2429		1.3375	2.6713	1.3375	3.2301	3.2301	1.0868
N4	2.6713	1.3375	1.3375		2.3839	2.3839	3.7581	2.0710	2.0710
N5	1.3375	1.3375	2.6713	2.3839		2.3840	2.0710	2.0710	3.7581
N6	1.3375	2.6713	1.3375	2.3839	2.3840		2.0710	3.7581	2.0710
H7	1.0868	3.2301	3.2301	3.7581	2.0710	2.0710		4.1253	4.1253
H8	3.2301	1.0868	3.2301	2.0710	2.0710	3.7581	4.1253		4.1253
H9	3.2301	3.2301	1.0868	2.0710	3.7581	2.0710	4.1253	4.1253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	113.954	C1	N6	C3	113.954
C2	N4	C3	113.954	N4	C2	N5	126.046
N4	C2	H8	116.977	N4	C3	N6	126.046
N4	C3	H9	116.977	N5	C1	N6	126.046
N5	C1	H7	116.977	N5	C2	H8	116.977
N6	C1	H7	116.977	N6	C3	H9	116.977

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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