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	hartrees
Energy at 0K	-278.721924
Energy at 298.15K	-278.727877
Nuclear repulsion energy	214.869257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3345	3029	0.00
2	A₁'	1251	1133	0.00
3	A₁'	1107	1002	0.00
4	A₂'	1514	1371	0.00
5	A₂'	1152	1043	0.00
6	A₂"	1087	984	4.00
7	A₂"	798	723	43.40
8	E'	3339	3024	36.55
8	E'	3339	3024	36.55
9	E'	1793	1624	238.20
9	E'	1793	1624	238.20
10	E'	1567	1419	108.60
10	E'	1567	1419	108.60
11	E'	1301	1178	0.75
11	E'	1301	1178	0.75
12	E'	749	679	20.53
12	E'	749	679	20.53
13	E"	1183	1072	0.00
13	E"	1183	1072	0.00
14	E"	416	377	0.00
14	E"	416	377	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.276
C2	1.105	-0.638
C3	-1.105	-0.638
N4	0.000	-1.352
N5	1.171	0.676
N6	-1.171	0.676
H7	0.000	2.352
H8	2.037	-1.176
H9	-2.037	-1.176

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2101	2.2101	2.6283	1.3158	1.3158	1.0764	3.1881	3.1881
C2	2.2101		2.2101	1.3158	1.3158	2.6283	3.1881	1.0764	3.1881
C3	2.2101	2.2101		1.3158	2.6283	1.3158	3.1881	3.1881	1.0764
N4	2.6283	1.3158	1.3158		2.3422	2.3422	3.7047	2.0449	2.0449
N5	1.3158	1.3158	2.6283	2.3422		2.3422	2.0449	2.0449	3.7047
N6	1.3158	2.6283	1.3158	2.3422	2.3422		2.0449	3.7047	2.0449
H7	1.0764	3.1881	3.1881	3.7047	2.0449	2.0449		4.0746	4.0746
H8	3.1881	1.0764	3.1881	2.0449	2.0449	3.7047	4.0746		4.0746
H9	3.1881	3.1881	1.0764	2.0449	3.7047	2.0449	4.0746	4.0746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.246	C1	N6	C3	114.246
C2	N4	C3	114.246	N4	C2	N5	125.754
N4	C2	H8	117.123	N4	C3	N6	125.754
N4	C3	H9	117.123	N5	C1	N6	125.754
N5	C1	H7	117.123	N5	C2	H8	117.123
N6	C1	H7	117.123	N6	C3	H9	117.123

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

using model chemistry: HF/6-31G(2df,p)

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	0.135
2	C	0.135
3	C	0.135
4	N	-0.317
5	N	-0.317
6	N	-0.317
7	H	0.182
8	H	0.182
9	H	0.182

<r²>	105.628
(<r²>)^1/2	10.278

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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