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	hartrees
Energy at 0K	-277.955414
Energy at 298.15K	-277.950115
HF Energy	-276.944300
Nuclear repulsion energy	133.647919

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'	3324	3132	79.15	31.04	0.02	0.04
2	A'	3302	3111	5.65	113.89	0.58	0.73
3	A'	3229	3043	6.51	101.25	0.03	0.05
4	A'	1630	1536	11.37	16.11	0.75	0.85
5	A'	1603	1511	73.44	2.07	0.43	0.60
6	A'	1541	1451	8.19	0.81	0.75	0.86
7	A'	1283	1209	91.72	2.16	0.35	0.52
8	A'	1254	1181	60.12	5.54	0.61	0.76
9	A'	948	893	11.21	7.13	0.23	0.37
10	A'	614	578	8.53	0.68	0.53	0.69
11	A'	503	474	16.28	0.80	0.56	0.72
12	A"	3306	3115	21.96	58.86	0.75	0.86
13	A"	1633	1539	0.48	10.31	0.75	0.86
14	A"	1558	1468	48.44	9.72	0.75	0.86
15	A"	1298	1223	160.99	3.01	0.75	0.86
16	A"	1072	1010	56.33	5.10	0.75	0.86
17	A"	408	384	0.01	0.14	0.75	0.86
18	A"	258	243	0.08	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.326	0.171	0.000
C2	-0.908	1.022	0.000
H3	1.264	0.732	0.000
F4	0.326	-0.642	1.106
F5	0.326	-0.642	-1.106
H6	-1.781	0.368	0.000
H7	-0.929	1.652	0.890
H8	-0.929	1.652	-0.890

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.4987	1.0928	1.3731	1.3731	2.1160	2.1357	2.1357
C2	1.4987		2.1906	2.3486	2.3486	1.0910	1.0910	1.0910
H3	1.0928	2.1906		1.9980	1.9980	3.0662	2.5389	2.5389
F4	1.3731	2.3486	1.9980		2.2125	2.5853	2.6242	3.2903
F5	1.3731	2.3486	1.9980	2.2125		2.5853	3.2903	2.6242
H6	2.1160	1.0910	3.0662	2.5853	2.5853		1.7800	1.7800
H7	2.1357	1.0910	2.5389	2.6242	3.2903	1.7800		1.7807
H8	2.1357	1.0910	2.5389	3.2903	2.6242	1.7800	1.7807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.286	C1	C2	H7	110.081
C1	C2	H8	110.081	C2	C1	H3	113.826
C2	C1	F4	109.993	C2	C1	F5	109.993
H3	C1	F4	107.807	H3	C1	F5	107.807
F4	C1	F5	107.170	H6	C2	H7	109.120
H6	C2	H8	109.120	H7	C2	H8	109.132

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

using model chemistry: G2

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: G2

States and conformations

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