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	hartrees
Energy at 0K	-1191.015994
Energy at 298.15K	-1191.019202
HF Energy	-1191.015994
Nuclear repulsion energy	367.458134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3198	3081	0.00
2	A_g	1433	1380	0.00
3	A_g	1297	1249	0.00
4	A_g	1163	1120	0.00
5	A_g	1075	1036	0.00
6	A_g	746	719	0.00
7	A_g	492	474	0.00
8	A_g	336	324	0.00
9	A_g	257	247	0.00
10	A_u	3213	3096	2.90
11	A_u	1332	1283	16.12
12	A_u	1246	1200	36.73
13	A_u	1181	1138	183.00
14	A_u	699	673	234.66
15	A_u	356	343	11.85
16	A_u	336	323	30.95
17	A_u	159	153	3.31
18	A_u	69	67	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.753
C2	0.000	0.000	0.753
H3	1.007	0.000	-1.164
H4	-1.007	0.000	1.164
F5	-0.776	-1.029	-1.227
F6	0.776	1.029	1.227
Cl7	-0.759	1.638	-1.282
Cl8	0.759	-1.638	1.282

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5055	1.0872	2.1647	1.3732	2.3623	1.8816	2.7206
C2	1.5055		2.1647	1.0872	2.3623	1.3732	2.7206	1.8816
H3	1.0872	2.1647		3.0771	2.0589	2.6131	2.4116	2.9542
H4	2.1647	1.0872	3.0771		2.6131	2.0589	2.9542	2.4116
F5	1.3732	2.3623	2.0589	2.6131		3.5589	2.6679	3.0040
F6	2.3623	1.3732	2.6131	2.0589	3.5589		3.0040	2.6679
Cl7	1.8816	2.7206	2.4116	2.9542	2.6679	3.0040		4.4292
Cl8	2.7206	1.8816	2.9542	2.4116	3.0040	2.6679	4.4292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.207	C1	C2	F6	110.208
C1	C2	Cl8	106.347	C2	C1	H3	112.207
C2	C1	F5	110.208	C2	C1	Cl7	106.347
H3	C1	F5	113.100	H3	C1	Cl7	105.500
H4	C2	F6	113.100	H4	C2	Cl8	105.500
F5	C1	Cl7	109.107	F6	C2	Cl8	109.107

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

using model chemistry: HSEh1PBE/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	-0.096
2	C	-0.096
3	H	0.315
4	H	0.315
5	F	-0.244
6	F	-0.244
7	Cl	0.025
8	Cl	0.025

	x	y	z
x	4.318	-1.740	0.963
y	-1.740	8.142	-2.027
z	0.963	-2.027	4.765

<r²>	266.207
(<r²>)^1/2	16.316