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	hartrees
Energy at 0K	-279.538735
Energy at 298.15K	-279.544370
HF Energy	-278.691778
Nuclear repulsion energy	211.019280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3250	3065	0.00
2	A₁'	1151	1085	0.00
3	A₁'	1015	957	0.00
4	A₂'	1430	1349	0.00
5	A₂'	1255	1183	0.00
6	A₂"	919	867	0.60
7	A₂"	769	725	32.07
8	E'	3246	3061	20.84
8	E'	3246	3061	20.84
9	E'	1621	1528	77.48
9	E'	1621	1528	77.48
10	E'	1469	1386	55.90
10	E'	1469	1386	55.90
11	E'	1212	1142	0.02
11	E'	1212	1142	0.02
12	E'	688	649	18.97
12	E'	688	649	18.97
13	E"	1022	963	0.00
13	E"	1022	963	0.00
14	E"	358	338	0.00
14	E"	358	338	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.398
C2	1.211	-0.699
C3	-1.211	-0.699
N4	0.000	-1.441
N5	1.248	0.720
N6	-1.248	0.720
H7	0.000	2.432
H8	2.106	-1.216
H9	-2.106	-1.216

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.4211	2.4211	2.8386	1.4198	1.4198	1.0338	3.3565	3.3565
C2	2.4211		2.4211	1.4198	1.4198	2.8386	3.3565	1.0338	3.3565
C3	2.4211	2.4211		1.4198	2.8386	1.4198	3.3565	3.3565	1.0338
N4	2.8386	1.4198	1.4198		2.4955	2.4955	3.8725	2.1179	2.1179
N5	1.4198	1.4198	2.8386	2.4955		2.4955	2.1179	2.1179	3.8725
N6	1.4198	2.8386	1.4198	2.4955	2.4955		2.1179	3.8725	2.1179
H7	1.0338	3.3565	3.3565	3.8725	2.1179	2.1179		4.2118	4.2118
H8	3.3565	1.0338	3.3565	2.1179	2.1179	3.8725	4.2118		4.2118
H9	3.3565	3.3565	1.0338	2.1179	3.8725	2.1179	4.2118	4.2118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	116.999	C1	N6	C3	116.999
C2	N4	C3	116.999	N4	C2	N5	123.001
N4	C2	H8	118.500	N4	C3	N6	123.001
N4	C3	H9	118.500	N5	C1	N6	123.001
N5	C1	H7	118.500	N5	C2	H8	118.500
N6	C1	H7	118.500	N6	C3	H9	118.500

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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