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	hartrees
Energy at 0K	-376.618692
Energy at 298.15K
HF Energy	-375.808901
Nuclear repulsion energy	190.297194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3025	17.47
2	A	3221	2997	16.41
3	A	3176	2955	13.99
4	A	1555	1447	5.13
5	A	1510	1405	13.63
6	A	1442	1342	27.20
7	A	1379	1283	22.99
8	A	1294	1204	14.81
9	A	1201	1118	92.66
10	A	1173	1091	36.19
11	A	1151	1071	201.25
12	A	1121	1043	51.59
13	A	939	874	36.71
14	A	581	541	5.07
15	A	487	453	23.01
16	A	431	401	6.72
17	A	249	232	10.25
18	A	123	114	10.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.767	-0.598	-0.288
C2	0.463	0.020	0.333
F3	-1.882	0.106	0.153
F4	1.540	-0.758	-0.007
F5	0.673	1.266	-0.184
H6	-0.708	-0.526	-1.372
H7	-0.862	-1.635	0.026
H8	0.416	0.103	1.416

	C1	C2	F3	F4	F5	H6	H7	H8
C1		1.5109	1.3900	2.3301	2.3576	1.0877	1.0877	2.1904
C2	1.5109		2.3536	1.3709	1.3648	2.1397	2.1422	1.0873
F3	1.3900	2.3536		3.5328	2.8256	2.0252	2.0215	2.6225
F4	2.3301	1.3709	3.5328		2.2084	2.6407	2.5575	2.0069
F5	2.3576	1.3648	2.8256	2.2084		2.5553	3.2882	1.9942
H6	1.0877	2.1397	2.0252	2.6407	2.5553		1.7913	3.0716
H7	1.0877	2.1422	2.0215	2.5575	3.2882	1.7913		2.5662
H8	2.1904	1.0873	2.6225	2.0069	1.9942	3.0716	2.5662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	107.811	C1	C2	F5	110.035
C1	C2	H8	113.939	C2	C1	F3	108.383
C2	C1	H6	109.785	C2	C1	H7	109.983
F3	C1	H6	109.040	F3	C1	H7	108.733
F4	C2	F5	107.659	F4	C2	H8	108.906
F5	C2	H8	108.309	H6	C1	H7	110.865

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP3/6-31+G**

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 CHF2CH2F (Ethane, 1,1,2-trifluoro)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for CHF₂CH₂F (Ethane, 1,1,2-trifluoro)