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	hartrees
Energy at 0K	-674.721508
Energy at 298.15K	-674.725795
HF Energy	-674.721508
Nuclear repulsion energy	277.293827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3352	3025	13.80
2	A'	1555	1404	103.88
3	A'	1295	1169	305.58
4	A'	1070	966	266.85
5	A'	939	847	43.30
6	A'	802	724	220.19
7	A'	517	466	78.57
8	A'	441	398	41.04
9	A'	307	277	0.19
10	A"	3439	3104	4.27
11	A"	1157	1044	255.51
12	A"	924	834	8.22
13	A"	473	427	5.96
14	A"	403	364	22.72
15	A"	152	137	0.06

Atom	x (Å)	y (Å)	z (Å)
P1	-0.026	0.119	0.000
C2	-0.478	1.644	0.000
F3	1.451	-0.356	0.000
F4	-0.478	-0.712	1.214
F5	-0.478	-0.712	-1.214
H6	-0.598	2.182	-0.918
H7	-0.598	2.182	0.918

	P1	C2	F3	F4	F5	H6	H7
P1		1.5904	1.5517	1.5385	1.5385	2.3294	2.3294
C2	1.5904		2.7784	2.6498	2.6498	1.0712	1.0712
F3	1.5517	2.7784		2.3066	2.3066	3.3884	3.3884
F4	1.5385	2.6498	2.3066		2.4275	3.5963	2.9112
F5	1.5385	2.6498	2.3066	2.4275		2.9112	3.5963
H6	2.3294	1.0712	3.3884	3.5963	2.9112		1.8367
H7	2.3294	1.0712	3.3884	2.9112	3.5963	1.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	120.897	P1	C2	H7	120.897
C2	P1	F3	124.314	C2	P1	F4	115.740
C2	P1	F5	115.740	F3	P1	F4	96.561
F3	P1	F5	96.561	F4	P1	F5	104.168
H6	C2	H7	118.043

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	1.635
2	C	-1.049
3	F	-0.369
4	F	-0.361
5	F	-0.361
6	H	0.253
7	H	0.253

	x	y	z	Total
	0.022	0.397	0.000	0.398
CHELPG
AIM
ESP

	x	y	z
x	2.412	-0.588	0.000
y	-0.588	4.030	0.000
z	0.000	0.000	2.923

<r²>	111.173
(<r²>)^1/2	10.544

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-)