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	hartrees
Energy at 0K	-679.146130
Energy at 298.15K	-679.150032
HF Energy	-678.251151
Nuclear repulsion energy	272.963407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3080	11.97
2	A'	1407	1343	59.73
3	A'	1152	1100	258.24
4	A'	886	846	182.72
5	A'	811	774	98.94
6	A'	533	509	73.55
7	A'	478	456	69.70
8	A'	358	342	43.59
9	A'	252	240	1.43
10	A"	3341	3188	5.16
11	A"	993	948	236.64
12	A"	829	792	0.17
13	A"	460	439	0.03
14	A"	364	347	23.28
15	A"	214	205	0.85

Atom	x (Å)	y (Å)	z (Å)
P1	-0.019	0.126	0.000
C2	-0.497	1.674	0.000
F3	1.462	-0.433	0.000
F4	-0.497	-0.692	1.242
F5	-0.497	-0.692	-1.242
H6	-0.478	2.209	-0.935
H7	-0.478	2.209	0.935

	P1	C2	F3	F4	F5	H6	H7
P1		1.6207	1.5829	1.5620	1.5620	2.3297	2.3297
C2	1.6207		2.8777	2.6723	2.6723	1.0778	1.0778
F3	1.5829	2.8777		2.3340	2.3340	3.4094	3.4094
F4	1.5620	2.6723	2.3340		2.4839	3.6275	2.9175
F5	1.5620	2.6723	2.3340	2.4839		2.9175	3.6275
H6	2.3297	1.0778	3.4094	3.6275	2.9175		1.8709
H7	2.3297	1.0778	3.4094	2.9175	3.6275	1.8709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	117.976	P1	C2	H7	117.976
C2	P1	F3	127.855	C2	P1	F4	114.191
C2	P1	F5	114.191	F3	P1	F4	95.827
F3	P1	F5	95.827	F4	P1	F5	105.330
H6	C2	H7	120.427

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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