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	hartrees
Energy at 0K	-1656.757495
Energy at 298.15K	-1656.760109
HF Energy	-1655.466769
Nuclear repulsion energy	637.296581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	1301	1237	0.00
2	A₁'	993	944	0.00
3	A₁'	407	387	0.00
4	A₂'	1286	1222	0.00
5	A₂'	499	474	0.00
6	A₂"	803	763	10.34
7	A₂"	143	136	0.07
8	E'	1572	1494	466.14
8	E'	1572	1494	466.14
9	E'	1317	1251	295.98
9	E'	1317	1251	295.98
10	E'	869	826	165.19
10	E'	869	826	165.19
11	E'	470	447	0.81
11	E'	470	447	0.81
12	E'	210	200	0.05
12	E'	210	200	0.05
13	E"	652	619	0.00
13	E"	652	619	0.00
14	E"	169	161	0.00
14	E"	169	161	0.00

Atom	x (Å)	y (Å)
C1	0.000	1.286
C2	1.114	-0.643
C3	-1.114	-0.643
N4	0.000	-1.385
N5	-1.199	0.692
N6	1.199	0.692
Cl7	0.000	3.009
Cl8	2.606	-1.505
Cl9	-2.606	-1.505

	C1	C2	C3	N4	N5	N6	Cl7	Cl8	Cl9
C1		2.2281	2.2281	2.6714	1.3384	1.3384	1.7230	3.8187	3.8187
C2	2.2281		2.2281	1.3384	2.6714	1.3384	3.8187	1.7230	3.8187
C3	2.2281	2.2281		1.3384	1.3384	2.6714	3.8187	3.8187	1.7230
N4	2.6714	1.3384	1.3384		2.3988	2.3988	4.3943	2.6090	2.6090
N5	1.3384	2.6714	1.3384	2.3988		2.3988	2.6090	4.3943	2.6090
N6	1.3384	1.3384	2.6714	2.3988	2.3988		2.6090	2.6090	4.3943
Cl7	1.7230	3.8187	3.8187	4.3943	2.6090	2.6090		5.2124	5.2124
Cl8	3.8187	1.7230	3.8187	2.6090	4.3943	2.6090	5.2124		5.2124
Cl9	3.8187	3.8187	1.7230	2.6090	2.6090	4.3943	5.2124	5.2124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N5	C3	112.690	C1	N6	C2	112.690
C2	N4	C3	112.690	N4	C2	N5	63.655
N4	C2	N6	127.310	N4	C2	Cl8	116.345
N4	C3	Cl9	116.345	N5	C1	N6	127.310
N5	C1	Cl7	116.345	N5	C3	Cl9	116.345
N6	C1	Cl7	116.345	N6	C2	Cl8	116.345

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

using model chemistry: MP2=FULL/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=FULL/cc-pVDZ

States and conformations

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