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	hartrees
Energy at 0K	-679.389900
Energy at 298.15K	-679.383527
HF Energy	-678.055907
Nuclear repulsion energy	254.736781

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2636	2484	63.26
2	A'	1360	1281	230.72
3	A'	1333	1256	334.62
4	A'	1231	1159	23.65
5	A'	930	877	60.76
6	A'	819	772	3.77
7	A'	570	537	4.07
8	A'	457	431	21.49
9	A'	308	291	0.73
10	A"	2635	2483	96.48
11	A"	1349	1271	223.13
12	A"	936	882	51.47
13	A"	570	537	5.44
14	A"	296	279	1.76
15	A"	179	168	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.371	-0.006	0.000
P2	-1.494	-0.104	0.000
F3	0.869	1.251	0.000
F4	0.869	-0.629	1.092
F5	0.869	-0.629	-1.092
H6	-1.640	0.833	-1.047
H7	-1.640	0.833	1.047

	C1	P2	F3	F4	F5	H6	H7
C1		1.8678	1.3514	1.3523	1.3523	2.4176	2.4176
P2	1.8678		2.7243	2.6558	2.6558	1.4130	1.4130
F3	1.3514	2.7243		2.1737	2.1737	2.7510	2.7510
F4	1.3523	2.6558	2.1737		2.1833	3.6070	2.9048
F5	1.3523	2.6558	2.1737	2.1833		2.9048	3.6070
H6	2.4176	1.4130	2.7510	3.6070	2.9048		2.0944
H7	2.4176	1.4130	2.7510	2.9048	3.6070	2.0944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	95.190	C1	P2	H7	95.190
P2	C1	F3	114.265	P2	C1	F4	110.293
P2	C1	F5	110.293	F3	C1	F4	107.072
F3	C1	F5	107.072	F4	C1	F5	107.563
H6	P2	H7	95.993

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

using model chemistry: G2

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: G2

States and conformations

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