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	hartrees
Energy at 0K	-675.105201
Energy at 298.15K	-675.109404
HF Energy	-674.612638
Nuclear repulsion energy	250.660728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2584	2404	27.01
2	A'	1305	1214	158.60
3	A'	1254	1167	243.74
4	A'	1191	1108	24.44
5	A'	912	849	44.20
6	A'	744	692	5.72
7	A'	516	481	7.63
8	A'	439	408	25.27
9	A'	287	267	0.62
10	A"	2583	2403	44.56
11	A"	1303	1213	140.60
12	A"	934	869	43.65
13	A"	515	479	8.87
14	A"	272	253	2.81
15	A"	197	184	3.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.362	-0.007	0.000
P2	-1.478	-0.101	0.000
F3	0.862	1.267	0.000
F4	0.862	-0.640	1.107
F5	0.862	-0.640	-1.107
H6	-1.636	0.832	-1.037
H7	-1.636	0.832	1.037

	C1	P2	F3	F4	F5	H6	H7
C1		1.8428	1.3683	1.3701	1.3701	2.4029	2.4029
P2	1.8428		2.7105	2.6442	2.6442	1.4042	1.4042
F3	1.3683	2.7105		2.2056	2.2056	2.7396	2.7396
F4	1.3701	2.6442	2.2056		2.2148	3.6066	2.9004
F5	1.3701	2.6442	2.2056	2.2148		2.9004	3.6066
H6	2.4029	1.4042	2.7396	3.6066	2.9004		2.0748
H7	2.4029	1.4042	2.7396	2.9004	3.6066	2.0748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	94.502	C1	P2	H7	94.502
P2	C1	F3	114.340	P2	C1	F4	109.902
P2	C1	F5	109.902	F3	C1	F4	107.302
F3	C1	F5	107.302	F4	C1	F5	107.857
H6	P2	H7	95.259

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)

using model chemistry: CID/3-21G*

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 CF3PH2 (phosphine, (trifluoromethyl)-)

using model chemistry: CID/3-21G*

States and conformations

All results from a given calculation for CF₃PH₂ (phosphine, (trifluoromethyl)-)