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	hartrees
Energy at 0K	-674.505094
Energy at 298.15K	-674.509185
HF Energy	-674.505094
Nuclear repulsion energy	269.778640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3388	3068	20.68
2	A'	1530	1385	40.46
3	A'	1232	1116	282.35
4	A'	1030	932	222.34
5	A'	878	795	21.21
6	A'	753	682	264.16
7	A'	469	425	82.11
8	A'	390	353	63.73
9	A'	271	245	0.19
10	A"	3501	3170	15.36
11	A"	1136	1029	198.92
12	A"	980	888	0.00
13	A"	442	400	1.68
14	A"	379	343	40.62
15	A"	157	142	0.31

Atom	x (Å)	y (Å)	z (Å)
P1	-0.029	0.135	0.000
C2	-0.488	1.698	0.000
F3	1.480	-0.394	0.000
F4	-0.488	-0.728	1.253
F5	-0.488	-0.728	-1.253
H6	-0.594	2.214	-0.929
H7	-0.594	2.214	0.929

	P1	C2	F3	F4	F5	H6	H7
P1		1.6290	1.5991	1.5889	1.5889	2.3454	2.3454
C2	1.6290		2.8723	2.7306	2.7306	1.0675	1.0675
F3	1.5991	2.8723		2.3563	2.3563	3.4588	3.4588
F4	1.5889	2.7306	2.3563		2.5051	3.6637	2.9612
F5	1.5889	2.7306	2.3563	2.5051		2.9612	3.6637
H6	2.3454	1.0675	3.4588	3.6637	2.9612		1.8577
H7	2.3454	1.0675	3.4588	2.9612	3.6637	1.8577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.413	P1	C2	H7	119.413
C2	P1	F3	125.692	C2	P1	F4	116.106
C2	P1	F5	116.106	F3	P1	F4	95.311
F3	P1	F5	95.311	F4	P1	F5	104.053
H6	C2	H7	120.954

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

using model chemistry: HF/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	2.066
2	C	-1.274
3	F	-0.465
4	F	-0.457
5	F	-0.457
6	H	0.293
7	H	0.293

	x	y	z	Total
	-0.190	1.232	0.000	1.247
CHELPG
AIM
ESP

	x	y	z
x	2.609	-0.751	0.000
y	-0.751	4.528	0.000
z	0.000	0.000	3.032

<r²>	116.935
(<r²>)^1/2	10.814

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

using model chemistry: HF/3-21G

States and conformations

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