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	hartrees
Energy at 0K	-1656.724312
Energy at 298.15K	-1656.726912
HF Energy	-1655.466344
Nuclear repulsion energy	636.790439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1298	1237	0.00
2	A₁'	991	944	0.00
3	A₁'	407	387	0.00
4	A₂'	1281	1220	0.00
5	A₂'	498	474	0.00
6	A₂"	799	761	10.31
7	A₂"	142	135	0.07
8	E'	1568	1493	463.15
8	E'	1568	1493	463.15
9	E'	1313	1251	297.11
9	E'	1313	1251	297.11
10	E'	867	826	164.72
10	E'	867	826	164.72
11	E'	469	447	0.83
11	E'	469	447	0.83
12	E'	209	200	0.05
12	E'	209	200	0.05
13	E"	648	618	0.00
13	E"	648	618	0.00
14	E"	168	160	0.00
14	E"	168	160	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.287
C2	1.115	-0.644
C3	-1.115	-0.644
N4	0.000	-1.386
N5	-1.201	0.693
N6	1.201	0.693
Cl7	0.000	3.012
Cl8	2.608	-1.506
Cl9	-2.608	-1.506

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2292	2.2292	2.6733	1.3394	1.3394	1.7247	3.8214	3.8214
C2	2.2292		2.2292	1.3394	2.6733	1.3394	3.8214	1.7247	3.8214
C3	2.2292	2.2292		1.3394	1.3394	2.6733	3.8214	3.8214	1.7247
N4	2.6733	1.3394	1.3394		2.4011	2.4011	4.3980	2.6110	2.6110
N5	1.3394	2.6733	1.3394	2.4011		2.4011	2.6110	4.3980	2.6110
N6	1.3394	1.3394	2.6733	2.4011	2.4011		2.6110	2.6110	4.3980
Cl7	1.7247	3.8214	3.8214	4.3980	2.6110	2.6110		5.2164	5.2164
Cl8	3.8214	1.7247	3.8214	2.6110	4.3980	2.6110	5.2164		5.2164
Cl9	3.8214	3.8214	1.7247	2.6110	2.6110	4.3980	5.2164	5.2164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.641	C1	N6	C2	112.641
C2	N4	C3	112.641	N4	C2	N5	63.679
N4	C2	N6	127.359	N4	C2	Cl8	116.321
N4	C3	Cl9	116.321	N5	C1	N6	127.359
N5	C1	Cl7	116.321	N5	C3	Cl9	116.321
N6	C1	Cl7	116.321	N6	C2	Cl8	116.321

All results from a given calculation for C₃Cl₃N₃ (1,3,5-Triazine, 2,4,6-trichloro-)

using model chemistry: MP2/cc-pVDZ

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 C3Cl3N3 (1,3,5-Triazine, 2,4,6-trichloro-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₃Cl₃N₃ (1,3,5-Triazine, 2,4,6-trichloro-)