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	hartrees
Energy at 0K	-280.180929
Energy at 298.15K	-280.186386
Nuclear repulsion energy	207.211632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3167	3143	0.00
2	A₁'	1123	1114	0.00
3	A₁'	929	922	0.00
4	A₂'	1377	1366	0.00
5	A₂'	1071	1063	0.00
6	A₂"	897	891	0.65
7	A₂"	750	744	29.29
8	E'	3158	3134	24.19
8	E'	3158	3134	24.20
9	E'	1464	1453	34.04
9	E'	1464	1453	34.04
10	E'	1376	1365	107.68
10	E'	1376	1365	107.68
11	E'	1110	1102	0.02
11	E'	1110	1102	0.02
12	E'	663	658	14.34
12	E'	663	658	14.34
13	E"	985	977	0.00
13	E"	985	977	0.00
14	E"	330	328	0.00
14	E"	330	328	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.328
C2	1.150	-0.664
C3	-1.150	-0.664
N4	0.000	-1.403
N5	1.215	0.702
N6	-1.215	0.702
H7	0.000	2.418
H8	2.094	-1.209
H9	-2.094	-1.209

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2998	2.2998	2.7309	1.3670	1.3670	1.0902	3.2894	3.2894
C2	2.2998		2.2998	1.3670	1.3670	2.7309	3.2895	1.0902	3.2895
C3	2.2998	2.2998		1.3670	2.7309	1.3670	3.2895	3.2895	1.0902
N4	2.7309	1.3670	1.3670		2.4302	2.4302	3.8211	2.1030	2.1030
N5	1.3670	1.3670	2.7309	2.4302		2.4302	2.1030	2.1030	3.8211
N6	1.3670	2.7309	1.3670	2.4302	2.4302		2.1030	3.8211	2.1030
H7	1.0902	3.2895	3.2895	3.8211	2.1030	2.1030		4.1881	4.1881
H8	3.2894	1.0902	3.2895	2.1030	2.1030	3.8211	4.1881		4.1881
H9	3.2894	3.2895	1.0902	2.1030	3.8211	2.1030	4.1881	4.1881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.535	C1	N6	C3	114.535
C2	N4	C3	114.535	N4	C2	N5	125.465
N4	C2	H8	117.268	N4	C3	N6	125.465
N4	C3	H9	117.268	N5	C1	N6	125.465
N5	C1	H7	117.268	N5	C2	H8	117.268
N6	C1	H7	117.268	N6	C3	H9	117.268

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

using model chemistry: BLYP/6-31G

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	0.088
2	C	0.088
3	C	0.088
4	N	-0.252
5	N	-0.252
6	N	-0.252
7	H	0.163
8	H	0.163
9	H	0.163

<r²>	112.573
(<r²>)^1/2	10.610

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

using model chemistry: BLYP/6-31G

States and conformations

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