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	hartrees
Energy at 0K	-678.806486
Energy at 298.15K	-678.810643
HF Energy	-678.053876
Nuclear repulsion energy	251.699834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2492	2339	43.37
2	A'	1269	1191	199.41
3	A'	1246	1170	287.20
4	A'	1127	1057	15.97
5	A'	854	802	43.21
6	A'	765	718	4.75
7	A'	529	497	3.21
8	A'	433	407	16.79
9	A'	291	273	0.64
10	A"	2504	2351	61.52
11	A"	1267	1190	190.41
12	A"	870	816	40.10
13	A"	528	496	4.51
14	A"	278	261	1.63
15	A"	182	171	3.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.374	-0.008	0.000
P2	-1.500	-0.099	0.000
F3	0.871	1.243	0.000
F4	0.871	-0.630	1.087
F5	0.871	-0.630	-1.087
H6	-1.636	0.843	-1.049
H7	-1.636	0.843	1.049

	C1	P2	F3	F4	F5	H6	H7
C1		1.8757	1.3465	1.3473	1.3473	2.4222	2.4222
P2	1.8757		2.7246	2.6615	2.6615	1.4172	1.4172
F3	1.3465	2.7246		2.1653	2.1653	2.7475	2.7475
F4	1.3473	2.6615	2.1653		2.1741	3.6085	2.9085
F5	1.3473	2.6615	2.1653	2.1741		2.9085	3.6085
H6	2.4222	1.4172	2.7475	3.6085	2.9085		2.0983
H7	2.4222	1.4172	2.7475	2.9085	3.6085	2.0983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	93.671	C1	P2	H7	93.671
P2	C1	F3	114.468	P2	C1	F4	110.263
P2	C1	F5	110.263	F3	C1	F4	106.990
F3	C1	F5	106.990	F4	C1	F5	107.573
H6	P2	H7	95.513

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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