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	hartrees
Energy at 0K	-276.963846
Energy at 298.15K
HF Energy	-276.963846
Nuclear repulsion energy	133.440045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3307	2990	61.61	37.20	0.03	0.06
2	A'	3284	2970	1.98	110.72	0.58	0.73
3	A'	3206	2899	6.49	124.11	0.02	0.03
4	A'	1607	1453	12.33	9.90	0.74	0.85
5	A'	1583	1431	68.41	1.45	0.19	0.32
6	A'	1517	1372	7.28	0.73	0.70	0.83
7	A'	1266	1144	92.20	2.30	0.26	0.41
8	A'	1243	1124	66.98	4.89	0.63	0.77
9	A'	938	848	12.65	7.06	0.20	0.33
10	A'	611	552	8.56	0.63	0.46	0.63
11	A'	502	454	17.96	0.87	0.56	0.72
12	A"	3285	2970	18.84	58.29	0.75	0.86
13	A"	1608	1454	0.09	6.27	0.75	0.86
14	A"	1523	1377	36.91	6.16	0.75	0.86
15	A"	1268	1146	184.43	2.52	0.75	0.86
16	A"	1052	952	75.00	4.64	0.75	0.86
17	A"	410	370	0.03	0.18	0.75	0.86
18	A"	252	228	0.07	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.162	0.000
C2	-0.901	1.030	0.000
H3	1.255	0.707	0.000
F4	0.323	-0.644	1.084
F5	0.323	-0.644	-1.084
H6	-1.788	0.408	0.000
H7	-0.906	1.659	0.883
H8	-0.906	1.659	-0.883

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5014	1.0801	1.3501	1.3501	2.1253	2.1284	2.1284
C2	1.5014		2.1811	2.3402	2.3402	1.0833	1.0835	1.0835
H3	1.0801	2.1811		1.9665	1.9665	3.0581	2.5212	2.5212
F4	1.3501	2.3402	1.9665		2.1675	2.5955	2.6172	3.2676
F5	1.3501	2.3402	1.9665	2.1675		2.5955	3.2676	2.6172
H6	2.1253	1.0833	3.0581	2.5955	2.5955		1.7669	1.7669
H7	2.1284	1.0835	2.5212	2.6172	3.2676	1.7669		1.7658
H8	2.1284	1.0835	2.5212	3.2676	2.6172	1.7669	1.7658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.564	C1	C2	H7	109.791
C1	C2	H8	109.791	C2	C1	H3	114.337
C2	C1	F4	110.189	C2	C1	F5	110.189
H3	C1	F4	107.515	H3	C1	F5	107.515
F4	C1	F5	106.775	H6	C2	H7	109.267
H6	C2	H8	109.267	H7	C2	H8	109.145

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

using model chemistry: HF/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	0.658
2	C	-0.462
3	H	0.114
4	F	-0.391
5	F	-0.391
6	H	0.166
7	H	0.153
8	H	0.153

	x	y	z	Total
	-0.329	2.527	0.000	2.548
CHELPG
AIM
ESP

	x	y	z
x	3.555	-0.063	0.000
y	-0.063	3.584	0.000
z	0.000	0.000	3.610

<r²>	71.288
(<r²>)^1/2	8.443

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

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

States and conformations

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