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	hartrees
Energy at 0K	-678.113003
Energy at 298.15K	-678.117055
HF Energy	-678.113003
Nuclear repulsion energy	273.250447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3029	13.71
2	A'	1476	1340	83.13
3	A'	1214	1102	277.37
4	A'	941	855	217.54
5	A'	863	783	81.37
6	A'	571	519	95.59
7	A'	487	443	76.60
8	A'	395	358	61.04
9	A'	273	248	1.05
10	A"	3454	3137	9.95
11	A"	1044	948	255.57
12	A"	869	789	0.30
13	A"	466	423	0.51
14	A"	381	346	26.92
15	A"	196	178	0.54

Atom	x (Å)	y (Å)	z (Å)
P1	-0.025	0.129	0.000
C2	-0.490	1.670	0.000
F3	1.464	-0.409	0.000
F4	-0.490	-0.704	1.238
F5	-0.490	-0.704	-1.238
H6	-0.524	2.200	-0.939
H7	-0.524	2.200	0.939

	P1	C2	F3	F4	F5	H6	H7
P1		1.6092	1.5835	1.5626	1.5626	2.3282	2.3282
C2	1.6092		2.8527	2.6769	2.6769	1.0793	1.0793
F3	1.5835	2.8527		2.3318	2.3318	3.4118	3.4118
F4	1.5626	2.6769	2.3318		2.4760	3.6297	2.9194
F5	1.5626	2.6769	2.3318	2.4760		2.9194	3.6297
H6	2.3282	1.0793	3.4118	3.6297	2.9194		1.8788
H7	2.3282	1.0793	3.4118	2.9194	3.6297	1.8788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.658	P1	C2	H7	118.658
C2	P1	F3	126.634	C2	P1	F4	115.114
C2	P1	F5	115.114	F3	P1	F4	95.658
F3	P1	F5	95.658	F4	P1	F5	104.789
H6	C2	H7	120.995

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

using model chemistry: HF/cc-pVDZ

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	1.412
2	C	-0.540
3	F	-0.363
4	F	-0.346
5	F	-0.346
6	H	0.091
7	H	0.091

	x	y	z	Total
	0.021	0.849	0.000	0.850
CHELPG
AIM
ESP

	x	y	z
x	3.282	-0.671	0.000
y	-0.671	4.842	0.000
z	0.000	0.000	3.550

<r²>	113.840
(<r²>)^1/2	10.670

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

using model chemistry: HF/cc-pVDZ

States and conformations

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