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	hartrees
Energy at 0K	-677.792012
Energy at 298.15K	-677.796001
HF Energy	-677.792012
Nuclear repulsion energy	252.908344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2349	2324	22.21
2	A'	1173	1161	215.88
3	A'	1153	1141	326.02
4	A'	1041	1030	10.42
5	A'	775	767	37.56
6	A'	746	739	10.07
7	A'	516	511	1.87
8	A'	416	411	9.81
9	A'	272	269	0.88
10	A"	2361	2336	30.00
11	A"	1166	1154	206.50
12	A"	809	801	37.60
13	A"	515	510	2.52
14	A"	261	258	1.10
15	A"	160	159	4.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.375	-0.006	0.000
P2	-1.494	-0.107	0.000
F3	0.865	1.238	0.000
F4	0.865	-0.626	1.080
F5	0.865	-0.626	-1.080
H6	-1.601	0.878	-1.034
H7	-1.601	0.878	1.034

	C1	P2	F3	F4	F5	H6	H7
C1		1.8719	1.3375	1.3384	1.3384	2.3993	2.3993
P2	1.8719		2.7157	2.6465	2.6465	1.4317	1.4317
F3	1.3375	2.7157		2.1543	2.1543	2.6987	2.6987
F4	1.3384	2.6465	2.1543		2.1609	3.5799	2.8890
F5	1.3384	2.6465	2.1543	2.1609		2.8890	3.5799
H6	2.3993	1.4317	2.6987	3.5799	2.8890		2.0685
H7	2.3993	1.4317	2.6987	2.8890	3.5799	2.0685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	92.169	C1	P2	H7	92.169
P2	C1	F3	114.574	P2	C1	F4	109.942
P2	C1	F5	109.942	F3	C1	F4	107.231
F3	C1	F5	107.231	F4	C1	F5	107.656
H6	P2	H7	92.502

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

using model chemistry: SVWN/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	0.248
2	P	0.114
3	F	-0.147
4	F	-0.153
5	F	-0.153
6	H	0.045
7	H	0.045

	x	y	z	Total
	-1.452	0.811	0.000	1.663
CHELPG
AIM
ESP

	x	y	z
x	5.816	-0.111	0.000
y	-0.111	5.047	0.000
z	0.000	0.000	5.237

<r²>	127.239
(<r²>)^1/2	11.280

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

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

States and conformations

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