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	hartrees
Energy at 0K	-280.234336
Energy at 298.15K	-280.229242
HF Energy	-280.379313
Nuclear repulsion energy	212.069802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3170	3059	0.00
2	A₁'	1161	1121	0.00
3	A₁'	1009	974	0.00
4	A₂	954	921	0.69
5	A₂	763	736	28.60
6	A₂'	1403	1354	0.00
7	A₂'	1185	1144	0.00
8	E	1049	1012	0.00
8	E	1049	1012	0.00
9	E	351	339	0.00
9	E	351	339	0.00
10	E'	3164	3053	27.92
10	E'	3164	3053	27.92
11	E'	1599	1543	132.24
11	E'	1599	1543	132.24
12	E'	1444	1393	67.21
12	E'	1444	1393	67.21
13	E'	1199	1157	0.28
13	E'	1199	1157	0.28
14	E'	692	667	17.99
14	E'	692	667	17.99

Atom	x (Å)	y (Å)
C1	0.000	1.291
C2	1.118	-0.646
C3	-1.118	-0.646
N4	0.000	-1.372
N5	1.188	0.686
N6	-1.188	0.686
H7	0.000	2.379
H8	2.061	-1.190
H9	-2.061	-1.190

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2368	2.2368	2.6634	1.3335	1.3335	1.0879	3.2251	3.2251
C2	2.2368		2.2368	1.3335	1.3335	2.6634	3.2251	1.0879	3.2251
C3	2.2368	2.2368		1.3335	2.6634	1.3335	3.2251	3.2251	1.0879
N4	2.6634	1.3335	1.3335		2.3764	2.3764	3.7513	2.0686	2.0686
N5	1.3335	1.3335	2.6634	2.3764		2.3764	2.0686	2.0686	3.7513
N6	1.3335	2.6634	1.3335	2.3764	2.3764		2.0686	3.7513	2.0686
H7	1.0879	3.2251	3.2251	3.7513	2.0686	2.0686		4.1210	4.1210
H8	3.2251	1.0879	3.2251	2.0686	2.0686	3.7513	4.1210		4.1210
H9	3.2251	3.2251	1.0879	2.0686	3.7513	2.0686	4.1210	4.1210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.412	C1	N6	C3	114.412
C2	N4	C3	114.407	N4	C2	N5	125.591
N4	C2	H8	117.204	N4	C3	N6	125.591
N4	C3	H9	117.204	N5	C1	N6	125.587
N5	C1	H7	117.206	N5	C2	H8	117.205
N6	C1	H7	117.206	N6	C3	H9	117.205

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

using model chemistry: G4

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: G4

States and conformations

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