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	hartrees
Energy at 0K	-679.902987
Energy at 298.15K
HF Energy	-679.604379
Nuclear repulsion energy	268.333548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3084	15.50
2	A'	1364	1312	51.19
3	A'	1124	1082	210.57
4	A'	841	810	151.07
5	A'	762	733	103.78
6	A'	509	490	56.28
7	A'	435	419	49.45
8	A'	317	305	34.09
9	A'	232	223	1.15
10	A"	3327	3201	9.06
11	A"	951	916	193.10
12	A"	812	781	2.17
13	A"	435	418	0.14
14	A"	341	328	15.97
15	A"	209	201	1.65

Atom	x (Å)	y (Å)	z (Å)
P1	-0.025	0.135	0.000
C2	-0.502	1.696	0.000
F3	1.485	-0.452	0.000
F4	-0.502	-0.700	1.270
F5	-0.502	-0.700	-1.270
H6	-0.478	2.229	-0.946
H7	-0.478	2.229	0.946

	P1	C2	F3	F4	F5	H6	H7
P1		1.6316	1.6202	1.5930	1.5930	2.3417	2.3417
C2	1.6316		2.9256	2.7113	2.7113	1.0861	1.0861
F3	1.6202	2.9256		2.3711	2.3711	3.4548	3.4548
F4	1.5930	2.7113	2.3711		2.5404	3.6726	2.9466
F5	1.5930	2.7113	2.3711	2.5404		2.9466	3.6726
H6	2.3417	1.0861	3.4548	3.6726	2.9466		1.8919
H7	2.3417	1.0861	3.4548	2.9466	3.6726	1.8919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.596	P1	C2	H7	117.596
C2	P1	F3	128.234	C2	P1	F4	114.444
C2	P1	F5	114.444	F3	P1	F4	95.107
F3	P1	F5	95.107	F4	P1	F5	105.752
H6	C2	H7	121.132

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

using model chemistry: B2PLYP=FULLultrafine/aug-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: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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