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	hartrees
Energy at 0K	-279.569066
Energy at 298.15K	-279.574726
HF Energy	-278.713947
Nuclear repulsion energy	210.339160

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3230	3077	0.00
2	A₁'	1140	1086	0.00
3	A₁'	1013	965	0.00
4	A₂'	1398	1332	0.00
5	A₂'	1255	1196	0.00
6	A₂"	924	880	1.24
7	A₂"	772	735	28.10
8	E'	3226	3073	22.11
8	E'	3226	3073	22.11
9	E'	1611	1535	81.14
9	E'	1611	1535	81.14
10	E'	1444	1375	45.99
10	E'	1444	1375	45.99
11	E'	1202	1145	0.03
11	E'	1202	1145	0.03
12	E'	681	649	18.30
12	E'	681	649	18.30
13	E"	1031	982	0.00
13	E"	1031	982	0.00
14	E"	359	342	0.00
14	E"	359	342	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.299
C2	1.125	-0.650
C3	-1.125	-0.650
N4	0.000	-1.386
N5	1.200	0.693
N6	-1.200	0.693
H7	0.000	2.395
H8	2.074	-1.198
H9	-2.074	-1.198

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2502	2.2502	2.6854	1.3448	1.3448	1.0962	3.2462	3.2462
C2	2.2502		2.2502	1.3448	1.3448	2.6854	3.2462	1.0962	3.2462
C3	2.2502	2.2502		1.3448	2.6854	1.3448	3.2462	3.2462	1.0962
N4	2.6854	1.3448	1.3448		2.4009	2.4009	3.7815	2.0830	2.0830
N5	1.3448	1.3448	2.6854	2.4009		2.4009	2.0830	2.0830	3.7815
N6	1.3448	2.6854	1.3448	2.4009	2.4009		2.0830	3.7815	2.0830
H7	1.0962	3.2462	3.2462	3.7815	2.0830	2.0830		4.1489	4.1489
H8	3.2462	1.0962	3.2462	2.0830	2.0830	3.7815	4.1489		4.1489
H9	3.2462	3.2462	1.0962	2.0830	3.7815	2.0830	4.1489	4.1489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	113.577	C1	N6	C3	113.577
C2	N4	C3	113.577	N4	C2	N5	126.423
N4	C2	H8	116.788	N4	C3	N6	126.423
N4	C3	H9	116.788	N5	C1	N6	126.423
N5	C1	H7	116.788	N5	C2	H8	116.788
N6	C1	H7	116.788	N6	C3	H9	116.788

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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