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	hartrees
Energy at 0K	-678.413594
Energy at 298.15K	-678.417178
HF Energy	-677.866243
Nuclear repulsion energy	256.980187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3096	22.77
2	A'	1442	1384	21.16
3	A'	1117	1072	156.26
4	A'	801	769	182.22
5	A'	717	688	76.04
6	A'	677	650	63.07
7	A'	394	378	57.92
8	A'	258	248	35.42
9	A'	183	175	0.88
10	A"	3353	3217	11.16
11	A"	1006	966	125.56
12	A"	854	820	33.76
13	A"	471	452	2.61
14	A"	321	308	28.04
15	A"	217	209	1.08

Atom	x (Å)	y (Å)	z (Å)
P1	-0.030	0.154	0.000
C2	-0.506	1.746	0.000
F3	1.528	-0.540	0.000
F4	-0.506	-0.693	1.372
F5	-0.506	-0.693	-1.372
H6	-0.576	2.269	-0.947
H7	-0.576	2.269	0.947

	P1	C2	F3	F4	F5	H6	H7
P1		1.6607	1.7054	1.6810	1.6810	2.3805	2.3805
C2	1.6607		3.0590	2.7977	2.7977	1.0842	1.0842
F3	1.7054	3.0590		2.4576	2.4576	3.6350	3.6350
F4	1.6810	2.7977	2.4576		2.7433	3.7622	2.9932
F5	1.6810	2.7977	2.4576	2.7433		2.9932	3.7622
H6	2.3805	1.0842	3.6350	3.7622	2.9932		1.8936
H7	2.3805	1.0842	3.6350	2.9932	3.7622	1.8936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C2	H6	118.774	P1	C2	H7	118.774
C2	P1	F3	130.669	C2	P1	F4	113.692
C2	P1	F5	113.692	F3	P1	F4	93.059
F3	P1	F5	93.059	F4	P1	F5	109.369
H6	C2	H7	121.669

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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