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	hartrees
Energy at 0K	-680.274795
Energy at 298.15K	-680.278658
HF Energy	-680.274795
Nuclear repulsion energy	274.006568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3074	14.54
2	A'	1394	1336	97.61
3	A'	1172	1124	216.27
4	A'	883	846	184.91
5	A'	804	771	105.05
6	A'	538	515	95.77
7	A'	468	449	62.64
8	A'	363	348	46.77
9	A'	257	246	0.75
10	A"	3312	3175	7.06
11	A"	988	947	240.40
12	A"	820	786	0.23
13	A"	452	433	0.01
14	A"	365	350	17.09
15	A"	202	194	1.47

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.123	0.000
C2	-0.492	1.657	0.000
F3	1.463	-0.415	0.000
F4	-0.492	-0.692	1.240
F5	-0.492	-0.692	-1.240
H6	-0.513	2.200	-0.932
H7	-0.513	2.200	0.932

	P1	C2	F3	F4	F5	H6	H7
P1		1.6044	1.5792	1.5566	1.5566	2.3286	2.3286
C2	1.6044		2.8488	2.6563	2.6563	1.0788	1.0788
F3	1.5792	2.8488		2.3314	2.3314	3.4074	3.4074
F4	1.5566	2.6563	2.3314		2.4797	3.6167	2.9082
F5	1.5566	2.6563	2.3314	2.4797		2.9082	3.6167
H6	2.3286	1.0788	3.4074	3.6167	2.9082		1.8644
H7	2.3286	1.0788	3.4074	2.9082	3.6167	1.8644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.115	P1	C2	H7	119.115
C2	P1	F3	126.971	C2	P1	F4	114.344
C2	P1	F5	114.344	F3	P1	F4	96.055
F3	P1	F5	96.055	F4	P1	F5	105.597
H6	C2	H7	119.556

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

using model chemistry: B1B95/6-311G*

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	1.367
2	C	-0.957
3	F	-0.325
4	F	-0.313
5	F	-0.313
6	H	0.271
7	H	0.271

	x	y	z	Total
	0.042	0.868	0.000	0.869
CHELPG
AIM
ESP

	x	y	z
x	3.705	-0.689	0.000
y	-0.689	5.286	0.000
z	0.000	0.000	3.792

<r²>	113.175
(<r²>)^1/2	10.638

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

using model chemistry: B1B95/6-311G*

States and conformations

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