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	hartrees
Energy at 0K	-680.213786
Energy at 298.15K	-680.217592
HF Energy	-680.213786
Nuclear repulsion energy	271.813038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3082	12.29
2	A'	1403	1347	60.99
3	A'	1152	1106	205.09
4	A'	896	860	166.27
5	A'	801	769	69.11
6	A'	543	521	87.92
7	A'	458	440	48.78
8	A'	350	336	39.91
9	A'	250	240	0.55
10	A"	3309	3177	4.46
11	A"	1003	963	204.00
12	A"	824	791	0.24
13	A"	447	430	0.04
14	A"	358	344	14.64
15	A"	203	194	1.12

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.122	0.000
C2	-0.494	1.671	0.000
F3	1.473	-0.420	0.000
F4	-0.494	-0.695	1.254
F5	-0.494	-0.695	-1.254
H6	-0.518	2.215	-0.936
H7	-0.518	2.215	0.936

	P1	C2	F3	F4	F5	H6	H7
P1		1.6192	1.5914	1.5690	1.5690	2.3449	2.3449
C2	1.6192		2.8713	2.6780	2.6780	1.0824	1.0824
F3	1.5914	2.8713		2.3489	2.3489	3.4324	3.4324
F4	1.5690	2.6780	2.3489		2.5077	3.6416	2.9270
F5	1.5690	2.6780	2.3489	2.5077		2.9270	3.6416
H6	2.3449	1.0824	3.4324	3.6416	2.9270		1.8718
H7	2.3449	1.0824	3.4324	2.9270	3.6416	1.8718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.112	P1	C2	H7	119.112
C2	P1	F3	126.840	C2	P1	F4	114.266
C2	P1	F5	114.266	F3	P1	F4	96.010
F3	P1	F5	96.010	F4	P1	F5	106.097
H6	C2	H7	119.685

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

using model chemistry: B3LYP/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	1.131
2	C	-0.653
3	F	-0.292
4	F	-0.286
5	F	-0.286
6	H	0.193
7	H	0.193

	x	y	z	Total
	0.109	0.597	0.000	0.607
CHELPG
AIM
ESP

<r²>	114.153
(<r²>)^1/2	10.684

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

using model chemistry: B3LYP/6-31G*

States and conformations

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