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	hartrees
Energy at 0K	-678.945896
Energy at 298.15K	-678.949718
HF Energy	-678.111137
Nuclear repulsion energy	269.455351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3088	13.49
2	A'	1388	1328	77.33
3	A'	1168	1117	206.09
4	A'	893	854	180.14
5	A'	809	774	80.71
6	A'	515	493	60.85
7	A'	458	438	68.78
8	A'	349	334	61.61
9	A'	250	239	1.51
10	A"	3346	3201	8.45
11	A"	997	953	213.74
12	A"	818	782	0.18
13	A"	452	432	0.01
14	A"	357	341	23.08
15	A"	201	192	0.97

Atom	x (Å)	y (Å)	z (Å)
P1	-0.023	0.132	0.000
C2	-0.500	1.685	0.000
F3	1.484	-0.434	0.000
F4	-0.500	-0.702	1.262
F5	-0.500	-0.702	-1.262
H6	-0.496	2.225	-0.948
H7	-0.496	2.225	0.948

	P1	C2	F3	F4	F5	H6	H7
P1		1.6244	1.6096	1.5862	1.5862	2.3456	2.3456
C2	1.6244		2.9025	2.6996	2.6996	1.0913	1.0913
F3	1.6096	2.9025		2.3667	2.3667	3.4476	3.4476
F4	1.5862	2.6996	2.3667		2.5248	3.6674	2.9429
F5	1.5862	2.6996	2.3667	2.5248		2.9429	3.6674
H6	2.3456	1.0913	3.4476	3.6674	2.9429		1.8968
H7	2.3456	1.0913	3.4476	2.9429	3.6674	1.8968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.148	P1	C2	H7	118.148
C2	P1	F3	127.665	C2	P1	F4	114.455
C2	P1	F5	114.455	F3	P1	F4	95.554
F3	P1	F5	95.554	F4	P1	F5	105.474
H6	C2	H7	120.695

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

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

using model chemistry: CCD/cc-pVDZ

States and conformations

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