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	hartrees
Energy at 0K	-679.712692
Energy at 298.15K	-679.716355
HF Energy	-679.712692
Nuclear repulsion energy	269.492733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3105	15.24
2	A'	1338	1319	66.63
3	A'	1123	1108	170.42
4	A'	865	853	148.41
5	A'	769	758	67.37
6	A'	509	502	76.03
7	A'	437	431	43.27
8	A'	328	323	37.54
9	A'	238	235	0.51
10	A"	3255	3210	6.45
11	A"	970	957	182.28
12	A"	788	777	0.36
13	A"	434	428	0.38
14	A"	341	337	11.51
15	A"	202	199	1.59

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.501	1.681	0.000
F3	1.486	-0.431	0.000
F4	-0.501	-0.695	1.268
F5	-0.501	-0.695	-1.268
H6	-0.498	2.227	-0.942
H7	-0.498	2.227	0.942

	P1	C2	F3	F4	F5	H6	H7
P1		1.6285	1.6077	1.5835	1.5835	2.3527	2.3527
C2	1.6285		2.8996	2.6934	2.6934	1.0891	1.0891
F3	1.6077	2.8996		2.3716	2.3716	3.4480	3.4480
F4	1.5835	2.6934	2.3716		2.5357	3.6640	2.9403
F5	1.5835	2.6934	2.3716	2.5357		2.9403	3.6640
H6	2.3527	1.0891	3.4480	3.6640	2.9403		1.8849
H7	2.3527	1.0891	3.4480	2.9403	3.6640	1.8849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.580	P1	C2	H7	118.580
C2	P1	F3	127.269	C2	P1	F4	113.963
C2	P1	F5	113.963	F3	P1	F4	96.001
F3	P1	F5	96.001	F4	P1	F5	106.385
H6	C2	H7	119.843

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

using model chemistry: PBEPBE/6-31G**

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	P	1.007
2	C	-0.577
3	F	-0.256
4	F	-0.251
5	F	-0.251
6	H	0.164
7	H	0.164

	x	y	z	Total
	0.154	0.604	0.000	0.624
CHELPG
AIM
ESP

	x	y	z
x	3.860	-0.735	0.000
y	-0.735	5.623	0.000
z	0.000	0.000	4.124

<r²>	115.558
(<r²>)^1/2	10.750

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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