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	hartrees
Energy at 0K	-678.901814
Energy at 298.15K	-678.905746
HF Energy	-678.101730
Nuclear repulsion energy	272.961539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3075	13.50
2	A'	1440	1368	74.55
3	A'	1193	1133	212.25
4	A'	932	885	182.40
5	A'	835	793	71.04
6	A'	565	537	99.82
7	A'	475	451	58.11
8	A'	371	352	43.94
9	A'	261	248	0.57
10	A"	3342	3175	4.74
11	A"	1037	985	223.78
12	A"	846	804	1.00
13	A"	461	438	0.01
14	A"	371	353	18.11
15	A"	201	191	0.67

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.124	0.000
C2	-0.491	1.665	0.000
F3	1.465	-0.415	0.000
F4	-0.491	-0.696	1.247
F5	-0.491	-0.696	-1.247
H6	-0.529	2.206	-0.937
H7	-0.529	2.206	0.937

	P1	C2	F3	F4	F5	H6	H7
P1		1.6111	1.5833	1.5634	1.5634	2.3388	2.3388
C2	1.6111		2.8559	2.6701	2.6701	1.0822	1.0822
F3	1.5833	2.8559		2.3367	2.3367	3.4245	3.4245
F4	1.5634	2.6701	2.3367		2.4934	3.6318	2.9188
F5	1.5634	2.6701	2.3367	2.4934		2.9188	3.6318
H6	2.3388	1.0822	3.4245	3.6318	2.9188		1.8732
H7	2.3388	1.0822	3.4245	2.9188	3.6318	1.8732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	119.242	P1	C2	H7	119.242
C2	P1	F3	126.768	C2	P1	F4	114.508
C2	P1	F5	114.508	F3	P1	F4	95.899
F3	P1	F5	95.899	F4	P1	F5	105.768
H6	C2	H7	119.869

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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