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	hartrees
Energy at 0K	-679.904792
Energy at 298.15K	-679.908641
HF Energy	-679.904792
Nuclear repulsion energy	273.254576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3071	14.65
2	A'	1392	1336	94.33
3	A'	1165	1118	218.12
4	A'	876	840	183.89
5	A'	797	764	104.52
6	A'	535	513	97.86
7	A'	466	447	61.45
8	A'	361	346	47.76
9	A'	256	246	0.81
10	A"	3305	3172	7.71
11	A"	983	943	237.89
12	A"	823	790	0.02
13	A"	450	432	0.02
14	A"	365	350	17.03
15	A"	202	193	1.52

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.123	0.000
C2	-0.493	1.661	0.000
F3	1.468	-0.414	0.000
F4	-0.493	-0.694	1.244
F5	-0.493	-0.694	-1.244
H6	-0.517	2.204	-0.935
H7	-0.517	2.204	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6084	1.5839	1.5607	1.5607	2.3343	2.3343
C2	1.6084		2.8550	2.6629	2.6629	1.0812	1.0812
F3	1.5839	2.8550		2.3392	2.3392	3.4157	3.4157
F4	1.5607	2.6629	2.3392		2.4871	3.6252	2.9143
F5	1.5607	2.6629	2.3392	2.4871		2.9143	3.6252
H6	2.3343	1.0812	3.4157	3.6252	2.9143		1.8693
H7	2.3343	1.0812	3.4157	2.9143	3.6252	1.8693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.124	P1	C2	H7	119.124
C2	P1	F3	126.848	C2	P1	F4	114.327
C2	P1	F5	114.327	F3	P1	F4	96.126
F3	P1	F5	96.126	F4	P1	F5	105.650
H6	C2	H7	119.635

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

using model chemistry: HSEh1PBE/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	P	1.382
2	C	-0.979
3	F	-0.325
4	F	-0.315
5	F	-0.315
6	H	0.277
7	H	0.277

	x	y	z	Total
	0.049	0.840	0.000	0.842
CHELPG
AIM
ESP

<r²>	113.760
(<r²>)^1/2	10.666

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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