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	hartrees
Energy at 0K	-677.746816
Energy at 298.15K	-677.750537
HF Energy	-677.746816
Nuclear repulsion energy	276.700650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3092	25.12
2	A'	1308	1287	136.85
3	A'	1150	1131	113.28
4	A'	920	905	130.70
5	A'	821	808	49.87
6	A'	478	470	31.19
7	A'	455	447	69.05
8	A'	353	347	49.70
9	A'	258	254	0.39
10	A"	3253	3201	14.36
11	A"	1010	994	159.15
12	A"	750	738	5.76
13	A"	435	428	0.16
14	A"	350	344	8.28
15	A"	178	175	0.88

Atom	x (Å)	y (Å)	z (Å)
P1	-0.025	0.118	0.000
C2	-0.484	1.652	0.000
F3	1.444	-0.395	0.000
F4	-0.484	-0.695	1.222
F5	-0.484	-0.695	-1.222
H6	-0.508	2.195	-0.943
H7	-0.508	2.195	0.943

	P1	C2	F3	F4	F5	H6	H7
P1		1.6019	1.5559	1.5382	1.5382	2.3323	2.3323
C2	1.6019		2.8127	2.6468	2.6468	1.0887	1.0887
F3	1.5559	2.8127		2.3027	2.3027	3.3784	3.3784
F4	1.5382	2.6468	2.3027		2.4446	3.6118	2.9039
F5	1.5382	2.6468	2.3027	2.4446		2.9039	3.6118
H6	2.3323	1.0887	3.3784	3.6118	2.9039		1.8869
H7	2.3323	1.0887	3.3784	2.9039	3.6118	1.8869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.947	P1	C2	H7	118.947
C2	P1	F3	125.912	C2	P1	F4	114.881
C2	P1	F5	114.881	F3	P1	F4	96.181
F3	P1	F5	96.181	F4	P1	F5	105.242
H6	C2	H7	120.134

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.221
2	C	-0.691
3	F	0.022
4	F	0.044
5	F	0.044
6	H	0.180
7	H	0.180

	x	y	z	Total
	0.146	0.299	0.000	0.333
CHELPG
AIM
ESP

	x	y	z
x	4.179	-0.568	0.000
y	-0.568	5.738	0.000
z	0.000	0.000	4.363

<r²>	110.656
(<r²>)^1/2	10.519

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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