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	hartrees
Energy at 0K	-277.023765
Energy at 298.15K
HF Energy	-277.023765
Nuclear repulsion energy	133.832903

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'	3285	2984	75.18	37.42	0.03	0.05
2	A'	3260	2962	2.96	110.13	0.58	0.74
3	A'	3188	2896	5.90	118.62	0.02	0.04
4	A'	1602	1456	21.97	9.29	0.72	0.83
5	A'	1581	1436	70.56	2.21	0.25	0.40
6	A'	1513	1375	3.86	0.62	0.67	0.81
7	A'	1271	1154	106.72	2.03	0.51	0.68
8	A'	1244	1130	63.15	4.48	0.49	0.66
9	A'	939	853	12.01	5.99	0.21	0.35
10	A'	618	561	8.53	0.78	0.56	0.72
11	A'	507	460	17.96	0.87	0.56	0.72
12	A"	3265	2966	22.83	56.42	0.75	0.86
13	A"	1604	1458	0.04	5.93	0.75	0.86
14	A"	1535	1395	39.00	7.89	0.75	0.86
15	A"	1277	1160	178.01	2.70	0.75	0.86
16	A"	1055	959	66.82	3.86	0.75	0.86
17	A"	410	372	0.02	0.25	0.75	0.86
18	A"	256	232	0.09	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.158	0.000
C2	-0.899	1.029	0.000
H3	1.252	0.708	0.000
F4	0.322	-0.641	1.080
F5	0.322	-0.641	-1.080
H6	-1.785	0.404	0.000
H7	-0.904	1.656	0.884
H8	-0.904	1.656	-0.884

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5005	1.0805	1.3434	1.3434	2.1220	2.1286	2.1286
C2	1.5005		2.1756	2.3341	2.3341	1.0837	1.0837	1.0837
H3	1.0805	2.1756		1.9625	1.9625	3.0528	2.5163	2.5163
F4	1.3434	2.3341	1.9625		2.1595	2.5887	2.6120	3.2617
F5	1.3434	2.3341	1.9625	2.1595		2.5887	3.2617	2.6120
H6	2.1220	1.0837	3.0528	2.5887	2.5887		1.7674	1.7674
H7	2.1286	1.0837	2.5163	2.6120	3.2617	1.7674		1.7671
H8	2.1286	1.0837	2.5163	3.2617	2.6120	1.7674	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.342	C1	C2	H7	109.864
C1	C2	H8	109.864	C2	C1	H3	113.920
C2	C1	F4	110.199	C2	C1	F5	110.199
H3	C1	F4	107.633	H3	C1	F5	107.633
F4	C1	F5	106.980	H6	C2	H7	109.263
H6	C2	H8	109.263	H7	C2	H8	109.229

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.547
2	C	-0.297
3	H	0.065
4	F	-0.320
5	F	-0.320
6	H	0.115
7	H	0.105
8	H	0.105

	x	y	z	Total
	-0.292	2.370	0.000	2.388
CHELPG
AIM
ESP

	x	y	z
x	3.324	-0.047	0.000
y	-0.047	3.283	0.000
z	0.000	0.000	3.307

<r²>	70.826
(<r²>)^1/2	8.416

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

using model chemistry: HF/6-311G**

States and conformations

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