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	hartrees
Energy at 0K	-677.828680
Energy at 298.15K	-677.832409
HF Energy	-677.828680
Nuclear repulsion energy	273.191590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3066	24.73
2	A'	1331	1309	134.14
3	A'	1151	1132	161.08
4	A'	870	855	173.77
5	A'	786	773	94.51
6	A'	515	506	106.02
7	A'	450	443	55.35
8	A'	345	340	42.76
9	A'	244	240	0.51
10	A"	3220	3168	15.81
11	A"	972	956	220.17
12	A"	789	776	2.22
13	A"	438	430	0.00
14	A"	351	345	13.05
15	A"	196	193	1.83

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.492	1.660	0.000
F3	1.465	-0.419	0.000
F4	-0.492	-0.692	1.246
F5	-0.492	-0.692	-1.246
H6	-0.520	2.208	-0.941
H7	-0.520	2.208	0.941

	P1	C2	F3	F4	F5	H6	H7
P1		1.6054	1.5845	1.5616	1.5616	2.3398	2.3398
C2	1.6054		2.8548	2.6617	2.6617	1.0898	1.0898
F3	1.5845	2.8548		2.3358	2.3358	3.4244	3.4244
F4	1.5616	2.6617	2.3358		2.4924	3.6327	2.9161
F5	1.5616	2.6617	2.3358	2.4924		2.9161	3.6327
H6	2.3398	1.0898	3.4244	3.6327	2.9161		1.8829
H7	2.3398	1.0898	3.4244	2.9161	3.6327	1.8829

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.253	P1	C2	H7	119.253
C2	P1	F3	127.004	C2	P1	F4	114.369
C2	P1	F5	114.369	F3	P1	F4	95.879
F3	P1	F5	95.879	F4	P1	F5	105.882
H6	C2	H7	119.519

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

using model chemistry: LSDA/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	1.229
2	C	-0.969
3	F	-0.284
4	F	-0.275
5	F	-0.275
6	H	0.287
7	H	0.287

	x	y	z	Total
	0.027	0.893	0.000	0.893
CHELPG
AIM
ESP

	x	y	z
x	3.835	-0.715	0.000
y	-0.715	5.563	0.000
z	0.000	0.000	3.977

<r²>	113.756
(<r²>)^1/2	10.666

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

using model chemistry: LSDA/6-311G*

States and conformations

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