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	hartrees
Energy at 0K	-678.173592
Energy at 298.15K	-678.177980
HF Energy	-678.173592
Nuclear repulsion energy	255.005222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2582	2346	43.00
2	A'	1340	1218	265.73
3	A'	1314	1194	363.09
4	A'	1208	1098	21.14
5	A'	915	831	62.43
6	A'	823	747	4.79
7	A'	577	524	3.65
8	A'	454	413	21.11
9	A'	310	282	0.77
10	A"	2580	2344	64.48
11	A"	1322	1201	248.56
12	A"	920	836	50.01
13	A"	577	524	4.94
14	A"	299	272	1.42
15	A"	177	161	3.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.379	-0.011	0.000
P2	-1.492	-0.091	0.000
F3	0.867	1.215	0.000
F4	0.867	-0.621	1.065
F5	0.867	-0.621	-1.065
H6	-1.652	0.834	-1.044
H7	-1.652	0.834	1.044

	C1	P2	F3	F4	F5	H6	H7
C1		1.8725	1.3196	1.3208	1.3208	2.4352	2.4352
P2	1.8725		2.6961	2.6415	2.6415	1.4040	1.4040
F3	1.3196	2.6961		2.1230	2.1230	2.7532	2.7532
F4	1.3208	2.6415	2.1230		2.1299	3.5930	2.9094
F5	1.3208	2.6415	2.1230	2.1299		2.9094	3.5930
H6	2.4352	1.4040	2.7532	3.5930	2.9094		2.0872
H7	2.4352	1.4040	2.7532	2.9094	3.5930	2.0872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	94.937	C1	P2	H7	94.937
P2	C1	F3	114.143	P2	C1	F4	110.429
P2	C1	F5	110.429	F3	C1	F4	107.036
F3	C1	F5	107.036	F4	C1	F5	107.477
H6	P2	H7	96.028

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

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	0.586
2	P	0.310
3	F	-0.270
4	F	-0.274
5	F	-0.274
6	H	-0.039
7	H	-0.039

	x	y	z	Total
	-1.960	0.802	0.000	2.118
CHELPG
AIM
ESP

	x	y	z
x	5.011	-0.199	0.000
y	-0.199	4.347	0.000
z	0.000	0.000	4.824

<r²>	126.342
(<r²>)^1/2	11.240

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

using model chemistry: HF/6-311G**

States and conformations

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