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	hartrees
Energy at 0K	-679.022633
Energy at 298.15K	-679.026686
HF Energy	-678.117296
Nuclear repulsion energy	249.444803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2423	2334	27.18
2	A'	1194	1150	197.64
3	A'	1167	1124	254.74
4	A'	1105	1065	17.97
5	A'	823	793	40.24
6	A'	731	704	2.24
7	A'	510	492	1.55
8	A'	416	400	17.99
9	A'	279	269	0.50
10	A"	2436	2347	40.58
11	A"	1169	1126	188.61
12	A"	844	813	41.87
13	A"	511	492	2.21
14	A"	268	258	0.68
15	A"	167	161	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.376	-0.007	0.000
P2	-1.519	-0.102	0.000
F3	0.882	1.252	0.000
F4	0.882	-0.634	1.094
F5	0.882	-0.634	-1.094
H6	-1.644	0.864	-1.046
H7	-1.644	0.864	1.046

	C1	P2	F3	F4	F5	H6	H7
C1		1.8968	1.3570	1.3585	1.3585	2.4357	2.4357
P2	1.8968		2.7560	2.6911	2.6911	1.4295	1.4295
F3	1.3570	2.7560		2.1800	2.1800	2.7613	2.7613
F4	1.3585	2.6911	2.1800		2.1880	3.6336	2.9367
F5	1.3585	2.6911	2.1800	2.1880		2.9367	3.6336
H6	2.4357	1.4295	2.7613	3.6336	2.9367		2.0926
H7	2.4357	1.4295	2.7613	2.9367	3.6336	2.0926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.078	C1	P2	H7	93.078
P2	C1	F3	114.764	P2	C1	F4	110.425
P2	C1	F5	110.425	F3	C1	F4	106.800
F3	C1	F5	106.800	F4	C1	F5	107.276
H6	P2	H7	94.100

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)

using model chemistry: CCSD/aug-cc-pVDZ

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 CF3PH2 (phosphine, (trifluoromethyl)-)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)