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	hartrees
Energy at 0K	-279.572670
Energy at 298.15K	-279.578382
HF Energy	-278.693652
Nuclear repulsion energy	211.998539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3261	3060	0.00
2	A₁'	1179	1106	0.00
3	A₁'	1048	983	0.00
4	A₂'	1444	1355	0.00
5	A₂'	1122	1053	0.00
6	A₂"	953	895	0.01
7	A₂"	772	724	37.17
8	E'	3258	3057	21.88
8	E'	3258	3057	21.88
9	E'	1685	1581	109.63
9	E'	1685	1581	109.63
10	E'	1494	1402	67.27
10	E'	1494	1402	67.27
11	E'	1240	1164	0.18
11	E'	1240	1164	0.18
12	E'	704	661	18.51
12	E'	704	661	18.51
13	E"	1055	990	0.00
13	E"	1055	990	0.00
14	E"	376	353	0.00
14	E"	376	353	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.397
C2	1.210	-0.699
C3	-1.210	-0.699
N4	0.000	-1.438
N5	1.245	0.719
N6	-1.245	0.719
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		2.4205	2.4205	2.8356	1.4182	1.4182	1.0307	3.3529	3.3529
C2	2.4205		2.4205	1.4182	1.4182	2.8356	3.3529	1.0307	3.3529
C3	2.4205	2.4205		1.4182	2.8356	1.4182	3.3529	3.3529	1.0307
N4	2.8356	1.4182	1.4182		2.4909	2.4909	3.8662	2.1147	2.1147
N5	1.4182	1.4182	2.8356	2.4909		2.4909	2.1147	2.1147	3.8662
N6	1.4182	2.8356	1.4182	2.4909	2.4909		2.1147	3.8662	2.1147
H7	1.0307	3.3529	3.3529	3.8662	2.1147	2.1147		4.2056	4.2056
H8	3.3529	1.0307	3.3529	2.1147	2.1147	3.8662	4.2056		4.2056
H9	3.3529	3.3529	1.0307	2.1147	3.8662	2.1147	4.2056	4.2056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	117.154	C1	N6	C3	117.154
C2	N4	C3	117.154	N4	C2	N5	122.846
N4	C2	H8	118.577	N4	C3	N6	122.846
N4	C3	H9	118.577	N5	C1	N6	122.846
N5	C1	H7	118.577	N5	C2	H8	118.577
N6	C1	H7	118.577	N6	C3	H9	118.577

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

using model chemistry: MP3=FULL/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=FULL/6-31G*

States and conformations

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