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	hartrees
Energy at 0K	-280.319851
Energy at 298.15K	-280.325478
Nuclear repulsion energy	212.865805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3191	3059	0.00
2	A₁'	1158	1110	0.00
3	A₁'	1025	983	0.00
4	A₂'	1406	1347	0.00
5	A₂'	1205	1155	0.00
6	A₂"	946	907	0.01
7	A₂"	760	728	34.21
8	E'	3185	3054	33.87
8	E'	3185	3054	33.88
9	E'	1630	1563	147.58
9	E'	1630	1563	147.60
10	E'	1454	1394	64.32
10	E'	1454	1394	64.39
11	E'	1213	1163	1.05
11	E'	1213	1163	1.06
12	E'	686	658	16.90
12	E'	686	658	16.90
13	E"	1040	997	0.00
13	E"	1040	997	0.00
14	E"	343	329	0.00
14	E"	343	329	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.286
C2	1.113	-0.643
C3	-1.113	-0.643
N4	0.000	-1.367
N5	1.184	0.684
N6	-1.184	0.684
H7	0.000	2.372
H8	2.054	-1.186
H9	-2.054	-1.186

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2266	2.2266	2.6530	1.3284	1.3284	1.0860	3.2133	3.2133
C2	2.2266		2.2266	1.3284	1.3284	2.6530	3.2133	1.0860	3.2133
C3	2.2266	2.2266		1.3284	2.6530	1.3284	3.2133	3.2133	1.0860
N4	2.6530	1.3284	1.3284		2.3686	2.3686	3.7390	2.0618	2.0618
N5	1.3284	1.3284	2.6530	2.3686		2.3686	2.0618	2.0618	3.7390
N6	1.3284	2.6530	1.3284	2.3686	2.3686		2.0618	3.7390	2.0618
H7	1.0860	3.2133	3.2133	3.7390	2.0618	2.0618		4.1076	4.1076
H8	3.2133	1.0860	3.2133	2.0618	2.0618	3.7390	4.1076		4.1076
H9	3.2133	3.2133	1.0860	2.0618	3.7390	2.0618	4.1076	4.1076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	113.871	C1	N6	C3	113.871
C2	N4	C3	113.871	N4	C2	N5	126.129
N4	C2	H8	116.936	N4	C3	N6	126.129
N4	C3	H9	116.936	N5	C1	N6	126.129
N5	C1	H7	116.936	N5	C2	H8	116.936
N6	C1	H7	116.936	N6	C3	H9	116.936

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

using model chemistry: B1B95/6-311G*

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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Number	Element	Mulliken
1	C	0.033
2	C	0.033
3	C	0.033
4	N	-0.268
5	N	-0.268
6	N	-0.268
7	H	0.235
8	H	0.235
9	H	0.235

<r²>	107.301
(<r²>)^1/2	10.359

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

using model chemistry: B1B95/6-311G*

States and conformations

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