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	hartrees
Energy at 0K	-47.600024
Energy at 298.15K	-47.605537
HF Energy	-47.067994
Nuclear repulsion energy	103.471855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3260	3150	0.00
2	A₁'	1103	1065	0.00
3	A₁'	920	889	0.00
4	A₂'	1371	1325	0.00
5	A₂'	1061	1025	0.00
6	A₂"	886	856	10.33
7	A₂"	766	740	30.23
8	E'	3251	3141	24.62
8	E'	3251	3141	24.62
9	E'	1469	1420	21.31
9	E'	1469	1420	21.31
10	E'	1382	1336	76.93
10	E'	1382	1336	76.93
11	E'	1094	1057	0.23
11	E'	1094	1057	0.23
12	E'	658	636	16.28
12	E'	658	636	16.28
13	E"	976	943	0.00
13	E"	976	943	0.00
14	E"	365	353	0.00
14	E"	365	353	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.352
C2	1.171	-0.676
C3	-1.171	-0.676
N4	0.000	-1.427
N5	1.236	0.713
N6	-1.236	0.713
H7	0.000	2.447
H8	2.119	-1.223
H9	-2.119	-1.223

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.3421	2.3421	2.7791	1.3910	1.3910	1.0944	3.3351	3.3351
C2	2.3421		2.3421	1.3910	1.3910	2.7791	3.3351	1.0944	3.3351
C3	2.3421	2.3421		1.3910	2.7791	1.3910	3.3351	3.3351	1.0944
N4	2.7791	1.3910	1.3910		2.4714	2.4714	3.8735	2.1286	2.1286
N5	1.3910	1.3910	2.7791	2.4714		2.4714	2.1286	2.1286	3.8735
N6	1.3910	2.7791	1.3910	2.4714	2.4714		2.1286	3.8735	2.1286
H7	1.0944	3.3351	3.3351	3.8735	2.1286	2.1286		4.2377	4.2377
H8	3.3351	1.0944	3.3351	2.1286	2.1286	3.8735	4.2377		4.2377
H9	3.3351	3.3351	1.0944	2.1286	3.8735	2.1286	4.2377	4.2377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.670	C1	N6	C3	114.670
C2	N4	C3	114.670	N4	C2	N5	125.330
N4	C2	H8	117.335	N4	C3	N6	125.330
N4	C3	H9	117.335	N5	C1	N6	125.330
N5	C1	H7	117.335	N5	C2	H8	117.335
N6	C1	H7	117.335	N6	C3	H9	117.335

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

using model chemistry: MP2/CEP-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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All results from a given calculation for C3H3N3 (1,3,5-Triazine)

using model chemistry: MP2/CEP-31G

States and conformations

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