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	hartrees
Energy at 0K	-680.151855
Energy at 298.15K	-680.155505
HF Energy	-680.151855
Nuclear repulsion energy	268.510482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3103	10.17
2	A'	1349	1339	44.34
3	A'	1105	1097	180.60
4	A'	847	841	143.29
5	A'	752	747	71.49
6	A'	514	511	67.85
7	A'	435	432	41.47
8	A'	318	315	34.51
9	A'	237	235	0.70
10	A"	3228	3204	2.87
11	A"	959	951	176.53
12	A"	798	792	0.29
13	A"	436	432	0.48
14	A"	340	337	12.42
15	A"	208	207	1.70

Atom	x (Å)	y (Å)	z (Å)
P1	-0.022	0.125	0.000
C2	-0.505	1.686	0.000
F3	1.492	-0.438	0.000
F4	-0.505	-0.695	1.273
F5	-0.505	-0.695	-1.273
H6	-0.490	2.234	-0.941
H7	-0.490	2.234	0.941

	P1	C2	F3	F4	F5	H6	H7
P1		1.6340	1.6155	1.5892	1.5892	2.3557	2.3557
C2	1.6340		2.9157	2.7001	2.7001	1.0884	1.0884
F3	1.6155	2.9157		2.3818	2.3818	3.4572	3.4572
F4	1.5892	2.7001	2.3818		2.5450	3.6710	2.9477
F5	1.5892	2.7001	2.3818	2.5450		2.9477	3.6710
H6	2.3557	1.0884	3.4572	3.6710	2.9477		1.8811
H7	2.3557	1.0884	3.4572	2.9477	3.6710	1.8811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.455	P1	C2	H7	118.455
C2	P1	F3	127.605	C2	P1	F4	113.787
C2	P1	F5	113.787	F3	P1	F4	96.012
F3	P1	F5	96.012	F4	P1	F5	106.400
H6	C2	H7	119.572

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

using model chemistry: BLYP/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	1.004
2	C	-0.495
3	F	-0.262
4	F	-0.258
5	F	-0.258
6	H	0.134
7	H	0.134

	x	y	z	Total
	0.154	0.647	0.000	0.665
CHELPG
AIM
ESP

	x	y	z
x	3.884	-0.764	0.000
y	-0.764	5.652	0.000
z	0.000	0.000	4.142

<r²>	116.351
(<r²>)^1/2	10.787

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

using model chemistry: BLYP/6-31G**

States and conformations

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