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	hartrees
Energy at 0K	-275.883192
Energy at 298.15K
HF Energy	-275.441435
Nuclear repulsion energy	129.787524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3019	18.84
2	A'	3090	2970	46.54
3	A'	3065	2946	2.48
4	A'	1566	1505	3.72
5	A'	1491	1433	26.57
6	A'	1465	1408	35.35
7	A'	1196	1149	30.71
8	A'	1136	1092	74.98
9	A'	877	843	6.67
10	A'	544	523	8.47
11	A'	441	424	16.45
12	A"	3143	3021	9.49
13	A"	1571	1510	0.70
14	A"	1467	1410	44.18
15	A"	1227	1180	73.27
16	A"	1017	977	32.50
17	A"	353	340	0.03
18	A"	256	246	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.333	0.176	0.000
C2	-0.924	1.030	0.000
H3	1.253	0.767	0.000
F4	0.333	-0.649	1.136
F5	0.333	-0.649	-1.136
H6	-1.798	0.368	0.000
H7	-0.946	1.660	0.896
H8	-0.946	1.660	-0.896

	C1	C2	H3	F4	F5	H6	H7	H8
C1		1.5196	1.0943	1.4039	1.4039	2.1393	2.1542	2.1542
C2	1.5196		2.1931	2.3853	2.3853	1.0963	1.0954	1.0954
H3	1.0943	2.1931		2.0358	2.0358	3.0773	2.5371	2.5371
F4	1.4039	2.3853	2.0358		2.2721	2.6202	2.6503	3.3310
F5	1.4039	2.3853	2.0358	2.2721		2.6202	3.3310	2.6503
H6	2.1393	1.0963	3.0773	2.6202	2.6202		1.7880	1.7880
H7	2.1542	1.0954	2.5371	2.6503	3.3310	1.7880		1.7921
H8	2.1542	1.0954	2.5371	3.3310	2.6503	1.7880	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	108.650	C1	C2	H7	109.869
C1	C2	H8	109.869	C2	C1	H3	113.067
C2	C1	F4	109.289	C2	C1	F5	109.289
H3	C1	F4	108.520	H3	C1	F5	108.520
F4	C1	F5	108.032	H6	C2	H7	109.329
H6	C2	H8	109.329	H7	C2	H8	109.772

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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