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	hartrees
Energy at 0K	-279.673497
Energy at 298.15K	-279.679151
Nuclear repulsion energy	211.500585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	3212	3064	0.00
2	A₁'	1161	1108	0.00
3	A₁'	1022	975	0.00
4	A₂'	1414	1349	0.00
5	A₂'	1100	1050	0.00
6	A₂"	950	906	0.02
7	A₂"	756	721	35.98
8	E'	3208	3060	23.59
8	E'	3208	3060	23.59
9	E'	1634	1559	125.26
9	E'	1634	1559	125.26
10	E'	1456	1389	69.63
10	E'	1456	1389	69.63
11	E'	1213	1157	0.22
11	E'	1213	1157	0.22
12	E'	692	660	16.68
12	E'	692	660	16.68
13	E"	1047	999	0.00
13	E"	1047	999	0.00
14	E"	352	336	0.00
14	E"	352	336	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.293
C2	1.120	-0.647
C3	-1.120	-0.647
N4	0.000	-1.378
N5	1.193	0.689
N6	-1.193	0.689
H7	0.000	2.381
H8	2.062	-1.190
H9	-2.062	-1.190

	C1	C2	C3	N4	N5	N6	H7	H8	H9
C1		2.2399	2.2399	2.6712	1.3376	1.3376	1.0876	3.2279	3.2279
C2	2.2399		2.2399	1.3376	1.3376	2.6712	3.2279	1.0876	3.2279
C3	2.2399	2.2399		1.3376	2.6712	1.3376	3.2279	3.2279	1.0876
N4	2.6712	1.3376	1.3376		2.3867	2.3867	3.7588	2.0704	2.0704
N5	1.3376	1.3376	2.6712	2.3867		2.3867	2.0704	2.0704	3.7588
N6	1.3376	2.6712	1.3376	2.3867	2.3867		2.0704	3.7588	2.0704
H7	1.0876	3.2279	3.2279	3.7588	2.0704	2.0704		4.1237	4.1237
H8	3.2279	1.0876	3.2279	2.0704	2.0704	3.7588	4.1237		4.1237
H9	3.2279	3.2279	1.0876	2.0704	3.7588	2.0704	4.1237	4.1237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C2	113.705	C1	N6	C3	113.705
C2	N4	C3	113.705	N4	C2	N5	126.295
N4	C2	H8	116.853	N4	C3	N6	126.295
N4	C3	H9	116.853	N5	C1	N6	126.295
N5	C1	H7	116.853	N5	C2	H8	116.853
N6	C1	H7	116.853	N6	C3	H9	116.853

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

using model chemistry: QCISD/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: QCISD/6-311G**

States and conformations

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