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	hartrees
Energy at 0K	-277.617024
Energy at 298.15K
HF Energy	-276.962108
Nuclear repulsion energy	131.693261

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'	3261	3063	9.34	34.91	0.71	0.83
2	A'	3206	3011	30.63	100.41	0.28	0.44
3	A'	3146	2955	2.58	117.40	0.01	0.02
4	A'	1534	1441	5.13	8.43	0.75	0.86
5	A'	1484	1393	69.55	1.70	0.42	0.59
6	A'	1426	1340	7.88	1.09	0.66	0.79
7	A'	1192	1119	22.96	2.23	0.28	0.43
8	A'	1165	1094	101.24	4.19	0.51	0.67
9	A'	892	838	13.78	6.79	0.16	0.28
10	A'	563	529	7.73	0.83	0.38	0.55
11	A'	464	436	14.03	1.09	0.67	0.81
12	A"	3254	3057	6.09	50.88	0.75	0.86
13	A"	1534	1440	1.62	6.26	0.75	0.86
14	A"	1411	1326	28.83	5.52	0.75	0.86
15	A"	1165	1094	140.37	2.24	0.75	0.86
16	A"	967	908	93.80	4.83	0.75	0.86
17	A"	387	364	0.09	0.30	0.75	0.86
18	A"	253	237	0.06	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.323	0.176	0.000
C2	-0.904	1.032	0.000
H3	1.268	0.715	0.000
F4	0.323	-0.649	1.109
F5	0.323	-0.649	-1.109
H6	-1.782	0.392	0.000
H7	-0.912	1.660	0.887
H8	-0.912	1.660	-0.887

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4967	1.0874	1.3822	1.3822	2.1162	2.1248	2.1248
C2	1.4967		2.1949	2.3587	2.3587	1.0864	1.0867	1.0867
H3	1.0874	2.1949		1.9956	1.9956	3.0666	2.5357	2.5357
F4	1.3822	2.3587	1.9956		2.2181	2.5972	2.6281	3.2926
F5	1.3822	2.3587	1.9956	2.2181		2.5972	3.2926	2.6281
H6	2.1162	1.0864	3.0666	2.5972	2.5972		1.7753	1.7753
H7	2.1248	1.0867	2.5357	2.6281	3.2926	1.7753		1.7738
H8	2.1248	1.0867	2.5357	3.2926	2.6281	1.7753	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.990	C1	C2	H7	109.651
C1	C2	H8	109.651	C2	C1	H3	115.380
C2	C1	F4	109.966	C2	C1	F5	109.966
H3	C1	F4	107.210	H3	C1	F5	107.210
F4	C1	F5	106.715	H6	C2	H7	109.564
H6	C2	H8	109.564	H7	C2	H8	109.406

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3CHF2 (Ethane, 1,1-difluoro-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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