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	hartrees
Energy at 0K	-674.497767
Energy at 298.15K	-674.501996
HF Energy	-674.497767
Nuclear repulsion energy	250.098080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2433	2204	41.33
2	A'	1361	1232	204.07
3	A'	1282	1161	291.51
4	A'	1223	1107	53.56
5	A'	906	820	41.04
6	A'	761	689	9.94
7	A'	537	486	10.16
8	A'	425	385	23.99
9	A'	291	263	1.87
10	A"	2422	2194	65.17
11	A"	1371	1242	166.57
12	A"	935	846	52.10
13	A"	534	484	12.04
14	A"	283	256	3.74
15	A"	173	156	7.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.387	-0.017	0.000
P2	-1.510	-0.082	0.000
F3	0.877	1.243	0.000
F4	0.877	-0.641	1.093
F5	0.877	-0.641	-1.093
H6	-1.677	0.844	-1.060
H7	-1.677	0.844	1.060

	C1	P2	F3	F4	F5	H6	H7
C1		1.8990	1.3521	1.3508	1.3508	2.4757	2.4757
P2	1.8990		2.7310	2.6850	2.6850	1.4180	1.4180
F3	1.3521	2.7310		2.1784	2.1784	2.7946	2.7946
F4	1.3508	2.6850	2.1784		2.1866	3.6565	2.9551
F5	1.3508	2.6850	2.1784	2.1866		2.9551	3.6565
H6	2.4757	1.4180	2.7946	3.6565	2.9551		2.1209
H7	2.4757	1.4180	2.7946	2.9551	3.6565	2.1209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	95.456	C1	P2	H7	95.456
P2	C1	F3	113.214	P2	C1	F4	110.279
P2	C1	F5	110.279	F3	C1	F4	107.407
F3	C1	F5	107.407	F4	C1	F5	108.065
H6	P2	H7	96.810

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

using model chemistry: HF/3-21G

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	0.752
2	P	0.420
3	F	-0.390
4	F	-0.388
5	F	-0.388
6	H	-0.003
7	H	-0.003

	x	y	z	Total
	-2.111	1.107	0.000	2.384
CHELPG
AIM
ESP

	x	y	z
x	4.431	-0.389	0.000
y	-0.389	3.601	0.000
z	0.000	0.000	4.401

<r²>	130.615
(<r²>)^1/2	11.429

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

using model chemistry: HF/3-21G

States and conformations

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