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	hartrees
Energy at 0K	-279.632258
Energy at 298.15K	-279.637887
HF Energy	-278.747883
Nuclear repulsion energy	211.307352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3228	3068	0.00
2	A₁'	1143	1086	0.00
3	A₁'	1016	966	0.00
4	A₂'	1410	1340	0.00
5	A₂'	1231	1170	0.00
6	A₂"	917	872	1.56
7	A₂"	766	728	33.48
8	E'	3225	3064	20.81
8	E'	3225	3064	20.81
9	E'	1606	1527	81.83
9	E'	1606	1527	81.83
10	E'	1452	1380	53.53
10	E'	1452	1380	53.53
11	E'	1203	1144	0.28
11	E'	1203	1144	0.28
12	E'	685	651	17.87
12	E'	685	651	17.87
13	E"	1011	961	0.00
13	E"	1011	961	0.00
14	E"	353	336	0.00
14	E"	353	336	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	-1.440
N5	1.247	0.720
N6	-1.247	0.720
H7	0.000	2.431
H8	2.105	-1.215
H9	-2.105	-1.215

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.4210	2.4210	2.8378	1.4194	1.4194	1.0331	3.3557	3.3557
C2	2.4210		2.4210	1.4194	1.4194	2.8378	3.3557	1.0331	3.3557
C3	2.4210	2.4210		1.4194	2.8378	1.4194	3.3557	3.3557	1.0331
N4	2.8378	1.4194	1.4194		2.4943	2.4943	3.8710	2.1172	2.1172
N5	1.4194	1.4194	2.8378	2.4943		2.4943	2.1172	2.1172	3.8710
N6	1.4194	2.8378	1.4194	2.4943	2.4943		2.1172	3.8710	2.1172
H7	1.0331	3.3557	3.3557	3.8710	2.1172	2.1172		4.2105	4.2105
H8	3.3557	1.0331	3.3557	2.1172	2.1172	3.8710	4.2105		4.2105
H9	3.3557	3.3557	1.0331	2.1172	3.8710	2.1172	4.2105	4.2105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	117.042	C1	N6	C3	117.042
C2	N4	C3	117.042	N4	C2	N5	122.958
N4	C2	H8	118.521	N4	C3	N6	122.958
N4	C3	H9	118.521	N5	C1	N6	122.958
N5	C1	H7	118.521	N5	C2	H8	118.521
N6	C1	H7	118.521	N6	C3	H9	118.521

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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