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	hartrees
Energy at 0K	-56.632044
Energy at 298.15K	-56.633000
Nuclear repulsion energy	77.081787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3121	11.64
2	A'	1647	1591	13.48
3	A'	1256	1213	13.30
4	A'	916	884	119.24
5	A'	828	800	133.46
6	A'	617	596	16.15
7	A'	375	362	0.17
8	A'	268	259	0.33
9	A'	166	161	0.88
10	A"	783	756	40.13
11	A"	438	423	6.49
12	A"	199	192	0.18

Atom	x (Å)	y (Å)
C1	-0.853	-0.608
C2	0.000	0.458
H3	-1.935	-0.470
Cl4	-0.319	-2.270
Cl5	-0.656	2.088
Cl6	1.739	0.336

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3653	1.0906	1.7457	2.7032	2.7587
C2	1.3653		2.1457	2.7468	1.7571	1.7436
H3	1.0906	2.1457		2.4188	2.8596	3.7613
Cl4	1.7457	2.7468	2.4188		4.3711	3.3210
Cl5	2.7032	1.7571	2.8596	4.3711		2.9679
Cl6	2.7587	1.7436	3.7613	3.3210	2.9679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	119.408	C1	C2	Cl6	124.645
C2	C1	H3	121.383	C2	C1	Cl4	123.538
H3	C1	Cl4	115.079	Cl5	C2	Cl6	115.948

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/CEP-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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Number	Element	Mulliken
1	C	-0.255
2	C	0.048
3	H	0.315
4	Cl	-0.073
5	Cl	-0.047
6	Cl	0.012

	x	y	z	Total
	-0.929	0.088	0.000	0.933
CHELPG
AIM
ESP

	x	y	z
x	8.365	-0.027	-0.001
y	-0.027	11.789	0.000
z	-0.001	0.000	3.310

<r²>	130.558
(<r²>)^1/2	11.426

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)