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	hartrees
Energy at 0K	-1450.323908
Energy at 298.15K	-1450.324793
Nuclear repulsion energy	307.467701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3283	3168	17.60
2	A'	1696	1637	10.79
3	A'	1276	1231	9.85
4	A'	842	812	100.27
5	A'	747	720	105.95
6	A'	572	552	18.21
7	A'	353	341	0.06
8	A'	250	241	0.59
9	A'	164	158	1.38
10	A"	849	819	44.24
11	A"	455	439	6.97
12	A"	194	188	1.14

Atom	x (Å)	y (Å)
C1	-1.093	-0.296
C2	0.000	0.440
H3	-2.089	0.118
Cl4	-1.049	-2.104
Cl5	-0.118	2.248
Cl6	1.675	-0.201

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3178	1.0784	1.8082	2.7245	2.7703
C2	1.3178		2.1133	2.7514	1.8120	1.7937
H3	1.0784	2.1133		2.4536	2.9014	3.7777
Cl4	1.8082	2.7514	2.4536		4.4502	3.3232
Cl5	2.7245	1.8120	2.9014	4.4502		3.0351
Cl6	2.7703	1.7937	3.7777	3.3232	3.0351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.215	C1	C2	Cl6	125.130
C2	C1	H3	123.439	C2	C1	Cl4	122.544
H3	C1	Cl4	114.017	Cl5	C2	Cl6	114.655

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B3LYP/3-21G

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	ESP
1	C	-0.340	-0.115
2	C	-0.450	-0.004
3	H	0.290	0.217
4	Cl	0.129	-0.057
5	Cl	0.168	-0.039
6	Cl	0.204	-0.002

	x	y	z	Total
	-1.202	0.410	0.000	1.270
CHELPG
AIM
ESP	-1.285	0.440	0.000	1.358

	x	y	z
x	7.484	0.669	0.000
y	0.669	10.743	0.000
z	0.000	0.000	2.099

<r²>	272.776
(<r²>)^1/2	16.516

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)