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	hartrees
Energy at 0K	-343.604465
Energy at 298.15K	-343.608572
HF Energy	-343.604465
Nuclear repulsion energy	170.933248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2501	2250	30.62
2	A'	1251	1126	108.99
3	A'	1233	1110	311.18
4	A'	1180	1062	107.16
5	A'	906	815	56.32
6	A'	734	661	3.08
7	A'	517	465	7.44
8	A'	423	381	34.28
9	A'	289	260	1.76
10	A"	2523	2270	52.57
11	A"	1233	1110	191.16
12	A"	916	824	69.40
13	A"	514	462	9.22
14	A"	284	256	2.52
15	A"	153	138	10.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.371	-0.017	0.000
P2	-1.533	-0.085	0.000
F3	0.894	1.257	0.000
F4	0.894	-0.645	1.103
F5	0.894	-0.645	-1.103
H6	-1.689	0.838	-1.062
H7	-1.689	0.838	1.062

	C1	P2	F3	F4	F5	H6	H7
C1		1.9048	1.3772	1.3726	1.3726	2.4705	2.4705
P2	1.9048		2.7730	2.7238	2.7238	1.4159	1.4159
F3	1.3772	2.7730		2.1982	2.1982	2.8241	2.8241
F4	1.3726	2.7238	2.1982		2.2063	3.6822	2.9787
F5	1.3726	2.7238	2.1982	2.2063		2.9787	3.6822
H6	2.4705	1.4159	2.8241	3.6822	2.9787		2.1241
H7	2.4705	1.4159	2.8241	2.9787	3.6822	2.1241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	95.000	C1	P2	H7	95.000
P2	C1	F3	114.364	P2	C1	F4	111.380
P2	C1	F5	111.380	F3	C1	F4	106.146
F3	C1	F5	106.146	F4	C1	F5	106.960
H6	P2	H7	97.197

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

using model chemistry: HF/LANL2DZ

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	0.498
2	P	0.409
3	F	-0.294
4	F	-0.291
5	F	-0.291
6	H	-0.016
7	H	-0.016

	x	y	z	Total
	-3.083	1.194	0.000	3.306
CHELPG
AIM
ESP

	x	y	z
x	4.903	-0.327	0.000
y	-0.327	3.845	0.000
z	0.000	0.000	4.768

<r²>	109.573
(<r²>)^1/2	10.468

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

using model chemistry: HF/LANL2DZ

States and conformations

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