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	hartrees
Energy at 0K	-277.017232
Energy at 298.15K
HF Energy	-277.017232
Nuclear repulsion energy	133.866784

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'	3308	2992	85.67	47.99	0.08	0.14
2	A'	3278	2964	4.48	100.50	0.65	0.79
3	A'	3206	2900	7.69	111.85	0.02	0.04
4	A'	1619	1465	14.83	10.95	0.73	0.85
5	A'	1594	1442	78.64	2.22	0.22	0.36
6	A'	1527	1381	4.79	0.68	0.63	0.78
7	A'	1277	1155	96.31	1.71	0.42	0.60
8	A'	1248	1128	74.18	4.86	0.56	0.72
9	A'	941	851	12.56	6.15	0.23	0.37
10	A'	619	560	8.63	0.80	0.57	0.73
11	A'	507	459	17.72	0.87	0.57	0.73
12	A"	3280	2966	27.89	58.00	0.75	0.86
13	A"	1621	1466	0.08	6.76	0.75	0.86
14	A"	1550	1402	40.77	8.93	0.75	0.86
15	A"	1282	1160	176.86	2.64	0.75	0.86
16	A"	1060	959	72.18	4.29	0.75	0.86
17	A"	410	371	0.01	0.23	0.75	0.86
18	A"	257	232	0.09	0.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.322	0.157	0.000
C2	-0.899	1.028	0.000
H3	1.253	0.705	0.000
F4	0.322	-0.641	1.080
F5	0.322	-0.641	-1.080
H6	-1.786	0.407	0.000
H7	-0.907	1.657	0.882
H8	-0.907	1.657	-0.882

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5003	1.0796	1.3428	1.3428	2.1229	2.1304	2.1304
C2	1.5003		2.1759	2.3334	2.3334	1.0829	1.0829	1.0829
H3	1.0796	2.1759		1.9602	1.9602	3.0531	2.5199	2.5199
F4	1.3428	2.3334	1.9602		2.1597	2.5901	2.6136	3.2619
F5	1.3428	2.3334	1.9602	2.1597		2.5901	3.2619	2.6136
H6	2.1229	1.0829	3.0531	2.5901	2.5901		1.7639	1.7639
H7	2.1304	1.0829	2.5199	2.6136	3.2619	1.7639		1.7639
H8	2.1304	1.0829	2.5199	3.2619	2.6136	1.7639	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.470	C1	C2	H7	110.074
C1	C2	H8	110.074	C2	C1	H3	114.011
C2	C1	F4	110.195	C2	C1	F5	110.195
H3	C1	F4	107.544	H3	C1	F5	107.544
F4	C1	F5	107.070	H6	C2	H7	109.066
H6	C2	H8	109.066	H7	C2	H8	109.067

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	0.476
2	C	-0.694
3	H	0.175
4	F	-0.320
5	F	-0.320
6	H	0.234
7	H	0.225
8	H	0.225

	x	y	z	Total
	-0.278	2.355	0.000	2.372
CHELPG
AIM
ESP	-2.262	0.788	0.000	2.396

	x	y	z
x	3.259	-0.026	0.000
y	-0.026	3.224	0.000
z	0.000	0.000	3.254

<r²>	70.855
(<r²>)^1/2	8.418

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-)