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	hartrees
Energy at 0K	-278.756676
Energy at 298.15K	-278.762638
Nuclear repulsion energy	214.742040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3354	3047	0.00
2	A₁'	1247	1133	0.00
3	A₁'	1114	1012	0.00
4	A₂'	1510	1371	0.00
5	A₂'	1148	1043	0.00
6	A₂"	1078	979	2.26
7	A₂"	799	726	51.32
8	E'	3349	3042	32.39
8	E'	3349	3042	32.39
9	E'	1795	1631	246.45
9	E'	1795	1631	246.45
10	E'	1565	1422	107.27
10	E'	1565	1422	107.27
11	E'	1301	1182	1.81
11	E'	1301	1182	1.81
12	E'	752	683	19.29
12	E'	752	683	19.29
13	E"	1174	1067	0.00
13	E"	1174	1067	0.00
14	E"	417	379	0.00
14	E"	417	379	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.278
C2	1.107	-0.639
C3	-1.107	-0.639
N4	0.000	-1.352
N5	1.171	0.676
N6	-1.171	0.676
H7	0.000	2.353
H8	2.038	-1.177
H9	-2.038	-1.177

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2135	2.2135	2.6302	1.3167	1.3167	1.0755	3.1906	3.1906
C2	2.2135		2.2135	1.3167	1.3167	2.6302	3.1906	1.0755	3.1906
C3	2.2135	2.2135		1.3167	2.6302	1.3167	3.1906	3.1906	1.0755
N4	2.6302	1.3167	1.3167		2.3422	2.3422	3.7057	2.0457	2.0457
N5	1.3167	1.3167	2.6302	2.3422		2.3422	2.0457	2.0457	3.7057
N6	1.3167	2.6302	1.3167	2.3422	2.3422		2.0457	3.7057	2.0457
H7	1.0755	3.1906	3.1906	3.7057	2.0457	2.0457		4.0764	4.0764
H8	3.1906	1.0755	3.1906	2.0457	2.0457	3.7057	4.0764		4.0764
H9	3.1906	3.1906	1.0755	2.0457	3.7057	2.0457	4.0764	4.0764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.396	C1	N6	C3	114.396
C2	N4	C3	114.396	N4	C2	N5	125.604
N4	C2	H8	117.198	N4	C3	N6	125.604
N4	C3	H9	117.198	N5	C1	N6	125.604
N5	C1	H7	117.198	N5	C2	H8	117.198
N6	C1	H7	117.198	N6	C3	H9	117.198

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

using model chemistry: HF/6-311G**

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	0.260
2	C	0.260
3	C	0.260
4	N	-0.392
5	N	-0.392
6	N	-0.392
7	H	0.133
8	H	0.133
9	H	0.133

<r²>	106.067
(<r²>)^1/2	10.299

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

using model chemistry: HF/6-311G**

States and conformations

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