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	hartrees
Energy at 0K	-680.224509
Energy at 298.15K	-680.228321
HF Energy	-680.224509
Nuclear repulsion energy	273.268534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3036	23.81
2	A'	1385	1310	100.57
3	A'	1169	1106	232.74
4	A'	888	840	202.31
5	A'	821	777	100.04
6	A'	527	498	87.42
7	A'	472	447	65.87
8	A'	362	342	48.15
9	A'	254	240	0.64
10	A"	3322	3143	17.12
11	A"	986	933	253.26
12	A"	816	772	0.29
13	A"	442	419	0.77
14	A"	362	343	18.36
15	A"	169	159	1.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.025	0.127	0.000
C2	-0.489	1.670	0.000
F3	1.464	-0.410	0.000
F4	-0.489	-0.701	1.241
F5	-0.489	-0.701	-1.241
H6	-0.534	2.198	-0.938
H7	-0.534	2.198	0.938

	P1	C2	F3	F4	F5	H6	H7
P1		1.6113	1.5821	1.5620	1.5620	2.3300	2.3300
C2	1.6113		2.8524	2.6758	2.6758	1.0777	1.0777
F3	1.5821	2.8524		2.3316	2.3316	3.4159	3.4159
F4	1.5620	2.6758	2.3316		2.4814	3.6268	2.9148
F5	1.5620	2.6758	2.3316	2.4814		2.9148	3.6268
H6	2.3300	1.0777	3.4159	3.6268	2.9148		1.8770
H7	2.3300	1.0777	3.4159	2.9148	3.6268	1.8770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.755	P1	C2	H7	118.755
C2	P1	F3	126.556	C2	P1	F4	114.954
C2	P1	F5	114.954	F3	P1	F4	95.730
F3	P1	F5	95.730	F4	P1	F5	105.180
H6	C2	H7	121.107

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

using model chemistry: M06-2X/TZVP

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	1.059
2	C	-0.684
3	F	-0.262
4	F	-0.252
5	F	-0.252
6	H	0.195
7	H	0.195

	x	y	z	Total
	-0.019	0.822	0.000	0.823
CHELPG
AIM
ESP

	x	y	z
x	4.395	-0.611	0.000
y	-0.611	5.749	0.000
z	0.000	0.000	4.074

<r²>	113.932
(<r²>)^1/2	10.674

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

using model chemistry: M06-2X/TZVP

States and conformations

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