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	hartrees
Energy at 0K	-84.392882
Energy at 298.15K	-84.396605
HF Energy	-84.392882
Nuclear repulsion energy	99.427102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3032	27.37
2	A'	1470	1341	17.12
3	A'	1103	1006	259.83
4	A'	790	721	294.84
5	A'	744	679	105.50
6	A'	686	626	42.59
7	A'	414	378	64.21
8	A'	275	251	49.72
9	A'	194	177	2.78
10	A"	3481	3176	15.34
11	A"	1052	960	130.30
12	A"	856	781	94.46
13	A"	468	427	2.12
14	A"	338	308	36.28
15	A"	223	204	1.45

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.166	0.000
C2	-0.508	1.749	0.000
F3	1.515	-0.537	0.000
F4	-0.508	-0.704	1.323
F5	-0.508	-0.704	-1.323
H6	-0.561	2.255	-0.941
H7	-0.561	2.255	0.941

	P1	C2	F3	F4	F5	H6	H7
P1		1.6553	1.6900	1.6561	1.6561	2.3539	2.3539
C2	1.6553		3.0520	2.7862	2.7862	1.0704	1.0704
F3	1.6900	3.0520		2.4227	2.4227	3.6044	3.6044
F4	1.6561	2.7862	2.4227		2.6459	3.7261	2.9836
F5	1.6561	2.7862	2.4227	2.6459		2.9836	3.7261
H6	2.3539	1.0704	3.6044	3.7261	2.9836		1.8829
H7	2.3539	1.0704	3.6044	2.9836	3.7261	1.8829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.841	P1	C2	H7	117.841
C2	P1	F3	131.648	C2	P1	F4	114.576
C2	P1	F5	114.576	F3	P1	F4	92.772
F3	P1	F5	92.772	F4	P1	F5	106.039
H6	C2	H7	123.172

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)

using model chemistry: HF/CEP-121G

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	P	1.441
2	C	-0.697
3	F	-0.434
4	F	-0.423
5	F	-0.423
6	H	0.268
7	H	0.268

	x	y	z	Total
	-0.638	3.101	0.000	3.166
CHELPG
AIM
ESP

	x	y	z
x	4.509	-1.115	0.000
y	-1.115	6.059	0.000
z	0.000	0.000	3.958

<r²>	102.043
(<r²>)^1/2	10.102

All results from a given calculation for PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for PF₃CH₂ (phosphorane, trifluoromethylene-)