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	hartrees
Energy at 0K	-280.397350
Energy at 298.15K	-280.402939
HF Energy	-280.397350
Nuclear repulsion energy	211.639060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3170	3059	0.00
2	A₁'	1149	1109	0.00
3	A₁'	999	964	0.00
4	A₂'	1400	1351	0.00
5	A₂'	1190	1149	0.00
6	A₂"	941	909	0.18
7	A₂"	758	732	28.00
8	E'	3165	3054	31.30
8	E'	3165	3054	31.27
9	E'	1592	1537	120.77
9	E'	1592	1537	120.84
10	E'	1437	1387	70.34
10	E'	1437	1387	70.29
11	E'	1194	1152	0.19
11	E'	1194	1152	0.19
12	E'	678	654	17.53
12	E'	678	654	17.52
13	E"	1044	1007	0.00
13	E"	1044	1007	0.00
14	E"	334	322	0.00
14	E"	334	322	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.397
C2	1.210	-0.698
C3	-1.210	-0.698
N4	0.000	-1.442
N5	1.249	0.721
N6	-1.249	0.721
H7	0.000	2.428
H8	2.103	-1.214
H9	-2.103	-1.214

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.4190	2.4190	2.8384	1.4198	1.4198	1.0312	3.3520	3.3520
C2	2.4190		2.4190	1.4198	1.4198	2.8384	3.3520	1.0312	3.3520
C3	2.4190	2.4190		1.4198	2.8384	1.4198	3.3520	3.3520	1.0312
N4	2.8384	1.4198	1.4198		2.4973	2.4973	3.8697	2.1149	2.1149
N5	1.4198	1.4198	2.8384	2.4973		2.4973	2.1149	2.1149	3.8697
N6	1.4198	2.8384	1.4198	2.4973	2.4973		2.1149	3.8697	2.1149
H7	1.0312	3.3520	3.3520	3.8697	2.1149	2.1149		4.2052	4.2052
H8	3.3520	1.0312	3.3520	2.1149	2.1149	3.8697	4.2052		4.2052
H9	3.3520	3.3520	1.0312	2.1149	3.8697	2.1149	4.2052	4.2052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	116.841	C1	N6	C3	116.841
C2	N4	C3	116.841	N4	C2	N5	123.159
N4	C2	H8	118.421	N4	C3	N6	123.159
N4	C3	H9	118.421	N5	C1	N6	123.159
N5	C1	H7	118.421	N5	C2	H8	118.421
N6	C1	H7	118.421	N6	C3	H9	118.421

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

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

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

States and conformations

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