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	hartrees
Energy at 0K	-280.302079
Energy at 298.15K	-280.307555
Nuclear repulsion energy	209.406159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3108	3092	0.00
2	A₁'	1115	1109	0.00
3	A₁'	966	961	0.00
4	A₂'	1364	1357	0.00
5	A₂'	1143	1137	0.00
6	A₂"	902	897	0.14
7	A₂"	734	730	28.83
8	E'	3104	3087	23.06
8	E'	3104	3087	23.06
9	E'	1518	1509	112.15
9	E'	1518	1509	112.15
10	E'	1392	1384	69.35
10	E'	1392	1384	69.35
11	E'	1148	1142	1.11
11	E'	1148	1142	1.11
12	E'	669	665	13.04
12	E'	669	665	13.04
13	E"	993	988	0.00
13	E"	993	988	0.00
14	E"	322	320	0.00
14	E"	322	320	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.308
C2	1.133	-0.654
C3	-1.133	-0.654
N4	0.000	-1.390
N5	1.204	0.695
N6	-1.204	0.695
H7	0.000	2.403
H8	2.081	-1.202
H9	-2.081	-1.202

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2663	2.2663	2.6987	1.3512	1.3512	1.0949	3.2607	3.2607
C2	2.2663		2.2663	1.3512	1.3512	2.6987	3.2607	1.0949	3.2607
C3	2.2663	2.2663		1.3512	2.6987	1.3512	3.2607	3.2607	1.0949
N4	2.6987	1.3512	1.3512		2.4081	2.4081	3.7936	2.0898	2.0898
N5	1.3512	1.3512	2.6987	2.4081		2.4081	2.0898	2.0898	3.7936
N6	1.3512	2.6987	1.3512	2.4081	2.4081		2.0898	3.7936	2.0898
H7	1.0949	3.2607	3.2607	3.7936	2.0898	2.0898		4.1626	4.1626
H8	3.2607	1.0949	3.2607	2.0898	2.0898	3.7936	4.1626		4.1626
H9	3.2607	3.2607	1.0949	2.0898	3.7936	2.0898	4.1626	4.1626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	113.983	C1	N6	C3	113.983
C2	N4	C3	113.983	N4	C2	N5	126.017
N4	C2	H8	116.992	N4	C3	N6	126.017
N4	C3	H9	116.992	N5	C1	N6	126.017
N5	C1	H7	116.992	N5	C2	H8	116.992
N6	C1	H7	116.992	N6	C3	H9	116.992

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

using model chemistry: BLYP/6-31+G**

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	0.032
2	C	0.032
3	C	0.032
4	N	-0.167
5	N	-0.167
6	N	-0.167
7	H	0.135
8	H	0.135
9	H	0.135

<r²>	110.941
(<r²>)^1/2	10.533

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

using model chemistry: BLYP/6-31+G**

States and conformations

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