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	hartrees
Energy at 0K	-277.681078
Energy at 298.15K	-277.686687
HF Energy	-277.092062
Nuclear repulsion energy	207.390750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3251	3093	0.00
2	A₁'	1169	1112	0.00
3	A₁'	934	888	0.00
4	A₂'	1431	1362	0.00
5	A₂'	955	909	0.00
6	A₂"	938	893	3.90
7	A₂"	777	740	35.55
8	E'	3241	3083	18.56
8	E'	3241	3083	18.56
9	E'	1485	1412	0.70
9	E'	1485	1412	0.70
10	E'	1390	1322	99.11
10	E'	1390	1322	99.11
11	E'	1103	1050	1.67
11	E'	1103	1050	1.67
12	E'	689	655	17.62
12	E'	689	655	17.62
13	E"	1028	978	0.00
13	E"	1028	978	0.00
14	E"	378	360	0.00
14	E"	378	360	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.330
C2	1.152	-0.665
C3	-1.152	-0.665
N4	0.000	-1.400
N5	1.212	0.700
N6	-1.212	0.700
H7	0.000	2.413
H8	2.089	-1.206
H9	-2.089	-1.206

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.3039	2.3039	2.7300	1.3664	1.3664	1.0826	3.2863	3.2863
C2	2.3039		2.3039	1.3664	1.3664	2.7300	3.2863	1.0826	3.2863
C3	2.3039	2.3039		1.3664	2.7300	1.3664	3.2863	3.2863	1.0826
N4	2.7300	1.3664	1.3664		2.4247	2.4247	3.8126	2.0984	2.0984
N5	1.3664	1.3664	2.7300	2.4247		2.4247	2.0984	2.0984	3.8126
N6	1.3664	2.7300	1.3664	2.4247	2.4247		2.0984	3.8126	2.0984
H7	1.0826	3.2863	3.2863	3.8126	2.0984	2.0984		4.1790	4.1790
H8	3.2863	1.0826	3.2863	2.0984	2.0984	3.8126	4.1790		4.1790
H9	3.2863	3.2863	1.0826	2.0984	3.8126	2.0984	4.1790	4.1790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.932	C1	N6	C3	114.932
C2	N4	C3	114.932	N4	C2	N5	125.068
N4	C2	H8	117.466	N4	C3	N6	125.068
N4	C3	H9	117.466	N5	C1	N6	125.068
N5	C1	H7	117.466	N5	C2	H8	117.466
N6	C1	H7	117.466	N6	C3	H9	117.466

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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