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	hartrees
Energy at 0K	-275.858393
Energy at 298.15K
HF Energy	-275.441819
Nuclear repulsion energy	129.947541

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'	3208	3062	14.99	32.81	0.67	0.80
2	A'	3153	3009	51.94	87.77	0.35	0.52
3	A'	3124	2982	1.43	78.83	0.02	0.05
4	A'	1590	1518	4.13	19.92	0.75	0.86
5	A'	1511	1442	30.02	3.53	0.75	0.85
6	A'	1485	1418	36.10	4.19	0.75	0.86
7	A'	1211	1156	31.05	2.17	0.19	0.32
8	A'	1147	1095	79.94	5.76	0.74	0.85
9	A'	891	850	7.11	7.52	0.18	0.30
10	A'	549	524	8.41	1.13	0.54	0.70
11	A'	444	424	16.08	1.31	0.67	0.80
12	A"	3210	3063	7.23	47.26	0.75	0.86
13	A"	1596	1523	1.03	15.12	0.75	0.86
14	A"	1487	1419	44.33	11.59	0.75	0.86
15	A"	1235	1179	73.96	4.82	0.75	0.86
16	A"	1022	976	38.01	6.36	0.75	0.86
17	A"	357	341	0.02	0.35	0.75	0.86
18	A"	266	254	0.15	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.331	0.177	0.000
C2	-0.921	1.027	0.000
H3	1.249	0.764	0.000
F4	0.331	-0.648	1.137
F5	0.331	-0.648	-1.137
H6	-1.791	0.368	0.000
H7	-0.943	1.655	0.892
H8	-0.943	1.655	-0.892

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5135	1.0899	1.4048	1.4048	2.1306	2.1459	2.1459
C2	1.5135		2.1858	2.3806	2.3806	1.0921	1.0911	1.0911
H3	1.0899	2.1858		2.0323	2.0323	3.0658	2.5290	2.5290
F4	1.4048	2.3806	2.0323		2.2745	2.6130	2.6431	3.3236
F5	1.4048	2.3806	2.0323	2.2745		2.6130	3.3236	2.6431
H6	2.1306	1.0921	3.0658	2.6130	2.6130		1.7810	1.7810
H7	2.1459	1.0911	2.5290	2.6431	3.3236	1.7810		1.7850
H8	2.1459	1.0911	2.5290	3.3236	2.6431	1.7810	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.628	C1	C2	H7	109.884
C1	C2	H8	109.884	C2	C1	H3	113.188
C2	C1	F4	109.267	C2	C1	F5	109.267
H3	C1	F4	108.446	H3	C1	F5	108.446
F4	C1	F5	108.100	H6	C2	H7	109.331
H6	C2	H8	109.331	H7	C2	H8	109.761

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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