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	hartrees
Energy at 0K	-280.083856
Energy at 298.15K	-280.089505
HF Energy	-280.083856
Nuclear repulsion energy	212.250413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3217	3072	0.00
2	A₁'	1162	1109	0.00
3	A₁'	1030	983	0.00
4	A₂'	1403	1339	0.00
5	A₂'	1239	1183	0.00
6	A₂"	956	912	0.01
7	A₂"	758	724	33.39
8	E'	3212	3067	19.62
8	E'	3212	3067	19.59
9	E'	1640	1566	158.93
9	E'	1640	1566	158.92
10	E'	1459	1393	56.29
10	E'	1459	1393	56.28
11	E'	1218	1163	1.43
11	E'	1218	1163	1.43
12	E'	694	663	15.30
12	E'	694	663	15.30
13	E"	1046	999	0.00
13	E"	1046	999	0.00
14	E"	346	331	0.00
14	E"	346	331	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.291
C2	1.118	-0.646
C3	-1.118	-0.646
N4	0.000	-1.370
N5	1.186	0.685
N6	-1.186	0.685
H7	0.000	2.379
H8	2.060	-1.189
H9	-2.060	-1.189

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2361	2.2361	2.6610	1.3323	1.3323	1.0879	3.2244	3.2244
C2	2.2361		2.2361	1.3323	1.3323	2.6610	3.2244	1.0879	3.2244
C3	2.2361	2.2361		1.3323	2.6610	1.3323	3.2244	3.2244	1.0879
N4	2.6610	1.3323	1.3323		2.3730	2.3730	3.7489	2.0681	2.0681
N5	1.3323	1.3323	2.6610	2.3730		2.3730	2.0681	2.0681	3.7489
N6	1.3323	2.6610	1.3323	2.3730	2.3730		2.0681	3.7489	2.0681
H7	1.0879	3.2244	3.2244	3.7489	2.0681	2.0681		4.1203	4.1203
H8	3.2244	1.0879	3.2244	2.0681	2.0681	3.7489	4.1203		4.1203
H9	3.2244	3.2244	1.0879	2.0681	3.7489	2.0681	4.1203	4.1203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.110	C1	N6	C3	114.110
C2	N4	C3	114.110	N4	C2	N5	125.890
N4	C2	H8	117.055	N4	C3	N6	125.890
N4	C3	H9	117.055	N5	C1	N6	125.890
N5	C1	H7	117.055	N5	C2	H8	117.055
N6	C1	H7	117.055	N6	C3	H9	117.055

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

using model chemistry: HSEh1PBE/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	-0.002
2	C	-0.002
3	C	-0.002
4	N	-0.168
5	N	-0.168
6	N	-0.168
7	H	0.170
8	H	0.170
9	H	0.170

<r²>	108.236
(<r²>)^1/2	10.404

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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