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	hartrees
Energy at 0K	-676.519078
Energy at 298.15K	-676.522627
HF Energy	-676.519078
Nuclear repulsion energy	260.969392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3140	15.69
2	A'	1393	1385	27.79
3	A'	1114	1108	149.62
4	A'	841	837	134.90
5	A'	723	719	31.25
6	A'	615	612	141.23
7	A'	390	388	36.27
8	A'	297	295	35.47
9	A'	221	220	0.23
10	A"	3265	3247	6.15
11	A"	976	971	117.67
12	A"	844	839	3.65
13	A"	422	420	0.35
14	A"	321	319	16.99
15	A"	167	166	0.85

Atom	x (Å)	y (Å)	z (Å)
P1	-0.035	0.140	0.000
C2	-0.501	1.729	0.000
F3	1.527	-0.441	0.000
F4	-0.501	-0.723	1.324
F5	-0.501	-0.723	-1.324
H6	-0.588	2.258	-0.943
H7	-0.588	2.258	0.943

	P1	C2	F3	F4	F5	H6	H7
P1		1.6558	1.6668	1.6479	1.6479	2.3837	2.3837
C2	1.6558		2.9703	2.7868	2.7868	1.0851	1.0851
F3	1.6668	2.9703		2.4386	2.4386	3.5564	3.5564
F4	1.6479	2.7868	2.4386		2.6487	3.7467	3.0069
F5	1.6479	2.7868	2.4386	2.6487		3.0069	3.7467
H6	2.3837	1.0851	3.5564	3.7467	3.0069		1.8864
H7	2.3837	1.0851	3.5564	3.0069	3.7467	1.8864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.381	P1	C2	H7	119.381
C2	P1	F3	126.746	C2	P1	F4	115.023
C2	P1	F5	115.023	F3	P1	F4	94.726
F3	P1	F5	94.726	F4	P1	F5	106.957
H6	C2	H7	120.744

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

using model chemistry: BLYP/3-21G

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	1.381
2	C	-0.989
3	F	-0.291
4	F	-0.290
5	F	-0.290
6	H	0.239
7	H	0.239

	x	y	z	Total
	-0.149	1.100	0.000	1.110
CHELPG
AIM
ESP

	x	y	z
x	3.211	-0.882	0.000
y	-0.882	5.512	0.000
z	0.000	0.000	3.747

<r²>	122.331
(<r²>)^1/2	11.060

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

using model chemistry: BLYP/3-21G

States and conformations

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