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	hartrees
Energy at 0K	-680.351003
Energy at 298.15K	-680.354622
HF Energy	-680.351003
Nuclear repulsion energy	269.991012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	3098	10.71
2	A'	1335	1331	45.51
3	A'	1095	1091	208.60
4	A'	819	816	144.87
5	A'	742	739	94.94
6	A'	486	484	46.32
7	A'	442	441	51.03
8	A'	315	314	39.67
9	A'	240	239	1.35
10	A"	3207	3198	4.65
11	A"	929	927	181.40
12	A"	795	792	3.94
13	A"	429	428	0.02
14	A"	342	341	12.92
15	A"	194	193	1.68

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.502	1.683	0.000
F3	1.486	-0.423	0.000
F4	-0.502	-0.700	1.259
F5	-0.502	-0.700	-1.259
H6	-0.495	2.224	-0.939
H7	-0.495	2.224	0.939

	P1	C2	F3	F4	F5	H6	H7
P1		1.6304	1.6056	1.5789	1.5789	2.3483	2.3483
C2	1.6304		2.8957	2.6946	2.6946	1.0840	1.0840
F3	1.6056	2.8957		2.3693	2.3693	3.4370	3.4370
F4	1.5789	2.6946	2.3693		2.5188	3.6580	2.9411
F5	1.5789	2.6946	2.3693	2.5188		2.9411	3.6580
H6	2.3483	1.0840	3.4370	3.6580	2.9411		1.8780
H7	2.3483	1.0840	3.4370	2.9411	3.6580	1.8780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.404	P1	C2	H7	118.404
C2	P1	F3	126.977	C2	P1	F4	114.193
C2	P1	F5	114.193	F3	P1	F4	96.142
F3	P1	F5	96.142	F4	P1	F5	105.814
H6	C2	H7	120.056

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

using model chemistry: BLYP/cc-pVTZ

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	0.966
2	C	-0.552
3	F	-0.234
4	F	-0.215
5	F	-0.215
6	H	0.125
7	H	0.125

	x	y	z	Total
	0.094	0.551	0.000	0.559
CHELPG
AIM
ESP

	x	y	z
x	4.634	-0.710	0.000
y	-0.710	6.231	0.000
z	0.000	0.000	4.677

<r²>	115.862
(<r²>)^1/2	10.764

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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