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	hartrees
Energy at 0K	-280.298423
Energy at 298.15K	-280.303907
Nuclear repulsion energy	209.237749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3074	3079	0.00
2	A₁'	1118	1120	0.00
3	A₁'	966	967	0.00
4	A₂'	1346	1348	0.00
5	A₂'	1144	1146	0.00
6	A₂"	894	895	0.00
7	A₂"	739	740	24.08
8	E'	3069	3074	32.21
8	E'	3069	3074	32.21
9	E'	1517	1520	102.12
9	E'	1517	1520	102.12
10	E'	1378	1380	64.63
10	E'	1378	1380	64.63
11	E'	1147	1149	0.27
11	E'	1147	1149	0.27
12	E'	667	668	15.29
12	E'	667	668	15.30
13	E"	992	993	0.00
13	E"	992	993	0.00
14	E"	321	321	0.00
14	E"	321	321	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.305
C2	1.130	-0.652
C3	-1.130	-0.652
N4	0.000	-1.394
N5	1.207	0.697
N6	-1.207	0.697
H7	0.000	2.408
H8	2.086	-1.204
H9	-2.086	-1.204

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2603	2.2603	2.6991	1.3518	1.3518	1.1034	3.2628	3.2628
C2	2.2603		2.2603	1.3518	1.3518	2.6991	3.2628	1.1034	3.2628
C3	2.2603	2.2603		1.3518	2.6991	1.3518	3.2628	3.2628	1.1034
N4	2.6991	1.3518	1.3518		2.4148	2.4148	3.8025	2.0944	2.0944
N5	1.3518	1.3518	2.6991	2.4148		2.4148	2.0944	2.0944	3.8025
N6	1.3518	2.6991	1.3518	2.4148	2.4148		2.0944	3.8025	2.0944
H7	1.1034	3.2628	3.2628	3.8025	2.0944	2.0944		4.1714	4.1714
H8	3.2628	1.1034	3.2628	2.0944	2.0944	3.8025	4.1714		4.1714
H9	3.2628	3.2628	1.1034	2.0944	3.8025	2.0944	4.1714	4.1714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	113.449	C1	N6	C3	113.449
C2	N4	C3	113.449	N4	C2	N5	126.551
N4	C2	H8	116.725	N4	C3	N6	126.551
N4	C3	H9	116.725	N5	C1	N6	126.551
N5	C1	H7	116.725	N5	C2	H8	116.725
N6	C1	H7	116.725	N6	C3	H9	116.725

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

using model chemistry: BLYP/cc-pVDZ

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	0.128
2	C	0.128
3	C	0.128
4	N	-0.135
5	N	-0.135
6	N	-0.135
7	H	0.007
8	H	0.007
9	H	0.007

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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