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	hartrees
Energy at 0K	-274.330632
Energy at 298.15K
HF Energy	-274.330632
Nuclear repulsion energy	126.240986

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'	3383	3130	1.55	25.98	0.75	0.86
2	A'	3207	2967	0.04	41.29	0.02	0.03
3	A'	2974	2752	55.41	46.15	0.35	0.52
4	A'	1624	1503	2.22	15.92	0.75	0.86
5	A'	1485	1374	3.40	3.53	0.70	0.83
6	A'	1396	1291	37.70	7.53	0.73	0.84
7	A'	1146	1061	24.07	2.02	0.29	0.45
8	A'	1076	996	37.02	5.66	0.72	0.84
9	A'	848	785	2.86	7.13	0.21	0.35
10	A'	522	483	1.70	1.03	0.52	0.69
11	A'	413	382	2.79	1.74	0.66	0.79
12	A"	3377	3124	1.16	28.85	0.75	0.86
13	A"	1625	1504	0.60	13.48	0.75	0.86
14	A"	1406	1300	51.76	5.56	0.75	0.86
15	A"	1181	1093	41.95	4.50	0.75	0.86
16	A"	974	901	6.47	4.84	0.75	0.86
17	A"	335	310	0.01	0.55	0.75	0.86
18	A"	152	141	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.339	0.146	0.000
C2	-0.947	1.109	0.000
H3	1.287	0.790	0.000
F4	0.339	-0.685	1.154
F5	0.339	-0.685	-1.154
H6	-1.876	0.505	0.000
H7	-0.931	1.753	0.902
H8	-0.931	1.753	-0.902

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.6061	1.1462	1.4223	1.4223	2.2436	2.2378	2.2378
C2	1.6061		2.2560	2.4906	2.4906	1.1081	1.1084	1.1084
H3	1.1462	2.2560		2.0993	2.0993	3.1754	2.5804	2.5804
F4	1.4223	2.4906	2.0993		2.3089	2.7665	2.7600	3.4327
F5	1.4223	2.4906	2.0993	2.3089		2.7665	3.4327	2.7600
H6	2.2436	1.1081	3.1754	2.7665	2.7665		1.8064	1.8064
H7	2.2378	1.1084	2.5804	2.7600	3.4327	1.8064		1.8045
H8	2.2378	1.1084	2.5804	3.4327	2.7600	1.8064	1.8045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.149	C1	C2	H7	109.686
C1	C2	H8	109.686	C2	C1	H3	108.962
C2	C1	F4	110.503	C2	C1	F5	110.503
H3	C1	F4	109.167	H3	C1	F5	109.167
F4	C1	F5	108.514	H6	C2	H7	109.163
H6	C2	H8	109.163	H7	C2	H8	108.972

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

using model chemistry: BLYP/STO-3G

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: BLYP/STO-3G

States and conformations

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