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	hartrees
Energy at 0K	-279.547896
Energy at 298.15K	-279.553597
HF Energy	-278.693320
Nuclear repulsion energy	211.801144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3261	3060	0.00
2	A₁'	1176	1104	0.00
3	A₁'	1046	982	0.00
4	A₂'	1442	1354	0.00
5	A₂'	1118	1049	0.00
6	A₂"	948	890	0.02
7	A₂"	769	721	37.33
8	E'	3257	3057	21.81
8	E'	3257	3057	21.81
9	E'	1682	1579	108.61
9	E'	1682	1579	108.61
10	E'	1492	1400	67.81
10	E'	1492	1400	67.81
11	E'	1238	1162	0.17
11	E'	1238	1162	0.17
12	E'	703	660	18.41
12	E'	703	660	18.41
13	E"	1051	986	0.00
13	E"	1051	986	0.00
14	E"	374	351	0.00
14	E"	374	351	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.294
C2	1.120	-0.647
C3	-1.120	-0.647
N4	0.000	-1.374
N5	1.190	0.687
N6	-1.190	0.687
H7	0.000	2.380
H8	2.061	-1.190
H9	-2.061	-1.190

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2406	2.2406	2.6674	1.3355	1.3355	1.0866	3.2277	3.2277
C2	2.2406		2.2406	1.3355	1.3355	2.6674	3.2277	1.0866	3.2277
C3	2.2406	2.2406		1.3355	2.6674	1.3355	3.2277	3.2277	1.0866
N4	2.6674	1.3355	1.3355		2.3794	2.3794	3.7540	2.0695	2.0695
N5	1.3355	1.3355	2.6674	2.3794		2.3794	2.0695	2.0695	3.7540
N6	1.3355	2.6674	1.3355	2.3794	2.3794		2.0695	3.7540	2.0695
H7	1.0866	3.2277	3.2277	3.7540	2.0695	2.0695		4.1227	4.1227
H8	3.2277	1.0866	3.2277	2.0695	2.0695	3.7540	4.1227		4.1227
H9	3.2277	3.2277	1.0866	2.0695	3.7540	2.0695	4.1227	4.1227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	114.042	C1	N6	C3	114.042
C2	N4	C3	114.042	N4	C2	N5	125.958
N4	C2	H8	117.021	N4	C3	N6	125.958
N4	C3	H9	117.021	N5	C1	N6	125.958
N5	C1	H7	117.021	N5	C2	H8	117.021
N6	C1	H7	117.021	N6	C3	H9	117.021

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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