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	hartrees
Energy at 0K	-278.226986
Energy at 298.15K
HF Energy	-278.226986
Nuclear repulsion energy	131.794623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3045	11.45
2	A'	3105	2981	36.06
3	A'	3075	2952	3.03
4	A'	1484	1425	6.38
5	A'	1436	1378	74.79
6	A'	1382	1327	4.85
7	A'	1157	1111	41.53
8	A'	1146	1100	99.56
9	A'	874	839	8.52
10	A'	560	538	5.89
11	A'	460	441	13.31
12	A"	3166	3040	7.64
13	A"	1485	1425	1.32
14	A"	1381	1326	26.30
15	A"	1144	1098	166.40
16	A"	946	908	76.73
17	A"	380	365	0.22
18	A"	233	224	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.167	0.000
C2	-0.900	1.041	0.000
H3	1.273	0.711	0.000
F4	0.322	-0.652	1.104
F5	0.322	-0.652	-1.104
H6	-1.797	0.418	0.000
H7	-0.903	1.676	0.890
H8	-0.903	1.676	-0.890

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5026	1.0952	1.3741	1.3741	2.1342	2.1376	2.1376
C2	1.5026		2.1978	2.3616	2.3616	1.0928	1.0929	1.0929
H3	1.0952	2.1978		1.9944	1.9944	3.0841	2.5411	2.5411
F4	1.3741	2.3616	1.9944		2.2076	2.6179	2.6388	3.3002
F5	1.3741	2.3616	1.9944	2.2076		2.6179	3.3002	2.6388
H6	2.1342	1.0928	3.0841	2.6179	2.6179		1.7818	1.7818
H7	2.1376	1.0929	2.5411	2.6388	3.3002	1.7818		1.7794
H8	2.1376	1.0929	2.5411	3.3002	2.6388	1.7818	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.623	C1	C2	H7	109.881
C1	C2	H8	109.881	C2	C1	H3	114.656
C2	C1	F4	110.276	C2	C1	F5	110.276
H3	C1	F4	107.197	H3	C1	F5	107.197
F4	C1	F5	106.891	H6	C2	H7	109.221
H6	C2	H8	109.221	H7	C2	H8	108.995

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

using model chemistry: B3PW91/6-31+G**

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	0.430
2	C	-0.548
3	H	0.142
4	F	-0.296
5	F	-0.296
6	H	0.198
7	H	0.185
8	H	0.185

	x	y	z	Total
	-0.381	2.398	0.000	2.428
CHELPG
AIM
ESP

	x	y	z
x	3.933	-0.136	0.000
y	-0.136	3.991	0.000
z	0.000	0.000	4.022

<r²>	72.548
(<r²>)^1/2	8.518

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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