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	hartrees
Energy at 0K	-84.597899
Energy at 298.15K	-84.602203
HF Energy	-84.597899
Nuclear repulsion energy	108.939506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2567	2305	53.56
2	A'	1334	1198	264.87
3	A'	1314	1180	356.47
4	A'	1203	1081	15.78
5	A'	914	821	57.64
6	A'	814	731	4.38
7	A'	567	509	4.18
8	A'	448	403	22.09
9	A'	304	273	1.19
10	A"	2580	2317	91.04
11	A"	1326	1191	256.53
12	A"	923	828	51.30
13	A"	567	510	5.32
14	A"	291	262	2.21
15	A"	171	153	7.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.382	-0.015	0.000
P2	-1.510	-0.088	0.000
F3	0.876	1.222	0.000
F4	0.876	-0.628	1.073
F5	0.876	-0.628	-1.073
H6	-1.653	0.857	-1.047
H7	-1.653	0.857	1.047

	C1	P2	F3	F4	F5	H6	H7
C1		1.8929	1.3318	1.3315	1.3315	2.4489	2.4489
P2	1.8929		2.7218	2.6716	2.6716	1.4177	1.4177
F3	1.3318	2.7218		2.1389	2.1389	2.7617	2.7617
F4	1.3315	2.6716	2.1389		2.1463	3.6194	2.9335
F5	1.3315	2.6716	2.1389	2.1463		2.9335	3.6194
H6	2.4489	1.4177	2.7617	3.6194	2.9335		2.0941
H7	2.4489	1.4177	2.7617	2.9335	3.6194	2.0941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	94.317	C1	P2	H7	94.317
P2	C1	F3	114.009	P2	C1	F4	110.696
P2	C1	F5	110.696	F3	C1	F4	106.857
F3	C1	F5	106.857	F4	C1	F5	107.408
H6	P2	H7	95.222

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	0.484
2	P	-0.036
3	F	-0.195
4	F	-0.196
5	F	-0.196
6	H	0.070
7	H	0.070

	x	y	z	Total
	-2.101	1.087	0.000	2.365
CHELPG
AIM
ESP

	x	y	z
x	5.349	-0.183	0.000
y	-0.183	3.996	0.000
z	0.000	0.000	4.620

<r²>	90.705
(<r²>)^1/2	9.524

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

using model chemistry: HF/CEP-31G*

States and conformations

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