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	hartrees
Energy at 0K	-678.879545
Energy at 298.15K	-678.883454
HF Energy	-678.101005
Nuclear repulsion energy	272.280384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	3079	12.56
2	A'	1438	1370	67.95
3	A'	1184	1127	210.73
4	A'	919	875	178.44
5	A'	824	785	72.44
6	A'	563	537	97.44
7	A'	470	448	56.76
8	A'	365	348	43.07
9	A'	257	245	0.58
10	A"	3338	3179	4.24
11	A"	1027	978	220.00
12	A"	847	806	0.29
13	A"	460	438	0.00
14	A"	369	351	18.28
15	A"	204	194	0.68

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.125	0.000
C2	-0.493	1.669	0.000
F3	1.468	-0.422	0.000
F4	-0.493	-0.695	1.251
F5	-0.493	-0.695	-1.251
H6	-0.524	2.211	-0.937
H7	-0.524	2.211	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6144	1.5881	1.5676	1.5676	2.3416	2.3416
C2	1.6144		2.8667	2.6746	2.6746	1.0828	1.0828
F3	1.5881	2.8667		2.3419	2.3419	3.4325	3.4325
F4	1.5676	2.6746	2.3419		2.5023	3.6377	2.9230
F5	1.5676	2.6746	2.3419	2.5023		2.9230	3.6377
H6	2.3416	1.0828	3.4325	3.6377	2.9230		1.8738
H7	2.3416	1.0828	3.4325	2.9230	3.6377	1.8738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.171	P1	C2	H7	119.171
C2	P1	F3	127.049	C2	P1	F4	114.386
C2	P1	F5	114.386	F3	P1	F4	95.821
F3	P1	F5	95.821	F4	P1	F5	105.905
H6	C2	H7	119.819

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

using model chemistry: QCISD/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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All results from a given calculation for PF3CH2 (phosphorane, trifluoromethylene-)

using model chemistry: QCISD/6-31G*

States and conformations

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