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	hartrees
Energy at 0K	-679.555861
Energy at 298.15K	-679.559383
HF Energy	-679.555861
Nuclear repulsion energy	257.876048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3119	34.66
2	A'	1404	1342	29.52
3	A'	1120	1070	154.47
4	A'	798	763	195.74
5	A'	713	682	54.97
6	A'	675	645	87.97
7	A'	377	361	45.55
8	A'	273	261	28.70
9	A'	181	173	0.64
10	A"	3396	3246	21.01
11	A"	982	939	136.71
12	A"	840	803	24.75
13	A"	448	429	1.77
14	A"	314	300	19.39
15	A"	203	194	1.28

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	0.152	0.000
C2	-0.499	1.736	0.000
F3	1.525	-0.515	0.000
F4	-0.499	-0.697	1.371
F5	-0.499	-0.697	-1.371
H6	-0.586	2.251	-0.944
H7	-0.586	2.251	0.944

	P1	C2	F3	F4	F5	H6	H7
P1		1.6499	1.6993	1.6768	1.6768	2.3667	2.3667
C2	1.6499		3.0272	2.7924	2.7924	1.0794	1.0794
F3	1.6993	3.0272		2.4514	2.4514	3.6057	3.6057
F4	1.6768	2.7924	2.4514		2.7411	3.7497	2.9806
F5	1.6768	2.7924	2.4514	2.7411		2.9806	3.7497
H6	2.3667	1.0794	3.6057	3.7497	2.9806		1.8886
H7	2.3667	1.0794	3.6057	2.9806	3.7497	1.8886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.760	P1	C2	H7	118.760
C2	P1	F3	129.337	C2	P1	F4	114.149
C2	P1	F5	114.149	F3	P1	F4	93.120
F3	P1	F5	93.120	F4	P1	F5	109.642
H6	C2	H7	122.046

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

using model chemistry: PBE1PBE/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	1.378
2	C	-0.801
3	F	-0.366
4	F	-0.363
5	F	-0.363
6	H	0.258
7	H	0.258

	x	y	z	Total
	-0.599	2.473	0.000	2.544
CHELPG
AIM
ESP

	x	y	z
x	3.768	-0.924	0.000
y	-0.924	5.876	0.000
z	0.000	0.000	4.051

<r²>	125.113
(<r²>)^1/2	11.185

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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