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	hartrees
Energy at 0K	-277.635263
Energy at 298.15K
HF Energy	-277.016976
Nuclear repulsion energy	133.231308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3250	3007	32.41
2	A'	3220	2979	33.62
3	A'	3158	2922	3.93
4	A'	1561	1445	10.00
5	A'	1531	1416	86.01
6	A'	1468	1358	3.32
7	A'	1233	1141	89.14
8	A'	1216	1125	54.77
9	A'	920	852	9.73
10	A'	597	553	7.48
11	A'	492	455	15.83
12	A"	3246	3003	14.29
13	A"	1562	1445	0.02
14	A"	1488	1377	39.27
15	A"	1242	1149	164.12
16	A"	1022	945	53.55
17	A"	400	370	0.03
18	A"	256	237	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.160	0.000
C2	-0.900	1.028	0.000
H3	1.259	0.712	0.000
F4	0.323	-0.642	1.089
F5	0.323	-0.642	-1.089
H6	-1.784	0.396	0.000
H7	-0.911	1.657	0.886
H8	-0.911	1.657	-0.886

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4992	1.0866	1.3528	1.3528	2.1201	2.1322	2.1322
C2	1.4992		2.1820	2.3386	2.3386	1.0865	1.0863	1.0863
H3	1.0866	2.1820		1.9738	1.9738	3.0595	2.5272	2.5272
F4	1.3528	2.3386	1.9738		2.1785	2.5891	2.6168	3.2721
F5	1.3528	2.3386	1.9738	2.1785		2.5891	3.2721	2.6168
H6	2.1201	1.0865	3.0595	2.5891	2.5891		1.7707	1.7707
H7	2.1322	1.0863	2.5272	2.6168	3.2721	1.7707		1.7713
H8	2.1322	1.0863	2.5272	3.2721	2.6168	1.7707	1.7713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.113	C1	C2	H7	110.086
C1	C2	H8	110.086	C2	C1	H3	114.148
C2	C1	F4	110.066	C2	C1	F5	110.066
H3	C1	F4	107.517	H3	C1	F5	107.517
F4	C1	F5	107.257	H6	C2	H7	109.156
H6	C2	H8	109.156	H7	C2	H8	109.225

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)

using model chemistry: CISD/6-311G*

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 CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: CISD/6-311G*

States and conformations

All results from a given calculation for CH₃CHF₂ (Ethane, 1,1-difluoro-)