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	hartrees
Energy at 0K	-1191.685305
Energy at 298.15K	-1191.688651
HF Energy	-1191.685305
Nuclear repulsion energy	372.415564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3187	3021	0.00
2	A_g	1425	1351	0.00
3	A_g	1348	1278	0.00
4	A_g	1128	1070	0.00
5	A_g	1060	1005	0.00
6	A_g	819	776	0.00
7	A_g	498	472	0.00
8	A_g	362	343	0.00
9	A_g	270	256	0.00
10	A_u	3202	3035	6.42
11	A_u	1343	1273	19.73
12	A_u	1296	1228	23.85
13	A_u	1146	1086	159.23
14	A_u	761	721	215.07
15	A_u	380	360	6.29
16	A_u	356	337	30.94
17	A_u	168	159	2.52
18	A_u	64	60	1.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.018	0.000	-1.148
H4	-1.018	0.000	1.148
F5	-0.713	-1.103	-1.210
F6	0.713	1.103	1.210
Cl7	-0.792	1.504	-1.339
Cl8	0.792	-1.504	1.339

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5272	1.0879	2.1657	1.3870	2.3704	1.7948	2.7041
C2	1.5272		2.1657	1.0879	2.3704	1.3870	2.7041	1.7948
H3	1.0879	2.1657		3.0685	2.0532	2.6208	2.3609	2.9156
H4	2.1657	1.0879	3.0685		2.6208	2.0532	2.9156	2.3609
F5	1.3870	2.3704	2.0532	2.6208		3.5711	2.6112	2.9875
F6	2.3704	1.3870	2.6208	2.0532	3.5711		2.9875	2.6112
Cl7	1.7948	2.7041	2.3609	2.9156	2.6112	2.9875		4.3283
Cl8	2.7041	1.7948	2.9156	2.3609	2.9875	2.6112	4.3283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.699	C1	C2	F6	108.768
C1	C2	Cl8	108.710	C2	C1	H3	110.699
C2	C1	F5	108.768	C2	C1	Cl7	108.710
H3	C1	F5	111.550	H3	C1	Cl7	107.422
H4	C2	F6	111.550	H4	C2	Cl8	107.422
F5	C1	Cl7	109.644	F6	C2	Cl8	109.644

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: wB97X-D/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
1	C	-0.036
2	C	-0.036
3	H	0.297
4	H	0.297
5	F	-0.269
6	F	-0.269
7	Cl	0.008
8	Cl	0.008

	x	y	z
x	4.775	-1.344	0.854
y	-1.344	7.269	-1.596
z	0.854	-1.596	5.145

<r²>	258.544
(<r²>)^1/2	16.079