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	hartrees
Energy at 0K	-680.288464
Energy at 298.15K	-680.292099
HF Energy	-680.288464
Nuclear repulsion energy	268.313737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	3092	12.21
2	A'	1339	1333	53.13
3	A'	1099	1095	200.06
4	A'	802	799	153.71
5	A'	722	719	113.59
6	A'	518	516	72.54
7	A'	436	434	46.78
8	A'	317	316	36.57
9	A'	234	233	1.17
10	A"	3206	3193	5.64
11	A"	920	917	195.99
12	A"	792	789	5.56
13	A"	433	431	0.18
14	A"	343	342	14.82
15	A"	207	207	2.26

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.128	0.000
C2	-0.506	1.684	0.000
F3	1.497	-0.438	0.000
F4	-0.506	-0.697	1.272
F5	-0.506	-0.697	-1.272
H6	-0.504	2.227	-0.940
H7	-0.504	2.227	0.940

	P1	C2	F3	F4	F5	H6	H7
P1		1.6289	1.6209	1.5913	1.5913	2.3499	2.3499
C2	1.6289		2.9175	2.6987	2.6987	1.0862	1.0862
F3	1.6209	2.9175		2.3866	2.3866	3.4628	3.4628
F4	1.5913	2.6987	2.3866		2.5436	3.6664	2.9425
F5	1.5913	2.6987	2.3866	2.5436		2.9425	3.6664
H6	2.3499	1.0862	3.4628	3.6664	2.9425		1.8809
H7	2.3499	1.0862	3.4628	2.9425	3.6664	1.8809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.512	P1	C2	H7	118.512
C2	P1	F3	127.731	C2	P1	F4	113.865
C2	P1	F5	113.865	F3	P1	F4	95.967
F3	P1	F5	95.967	F4	P1	F5	106.109
H6	C2	H7	119.947

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

using model chemistry: BLYP/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	1.239
2	C	-0.660
3	F	-0.304
4	F	-0.296
5	F	-0.296
6	H	0.159
7	H	0.159

	x	y	z	Total
	0.024	0.976	0.000	0.976
CHELPG
AIM
ESP

	x	y	z
x	4.037	-0.799	0.000
y	-0.799	5.795	0.000
z	0.000	0.000	4.140

<r²>	117.247
(<r²>)^1/2	10.828

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

using model chemistry: BLYP/6-311G**

States and conformations

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