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	hartrees
Energy at 0K	-21.319437
Energy at 298.15K	-21.327294
HF Energy	-21.319437
Nuclear repulsion energy	43.497670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	2992	58.88
2	A'	3313	2986	79.01
3	A'	3210	2894	49.41
4	A'	2391	2155	213.79
5	A'	1614	1455	7.80
6	A'	1612	1453	19.80
7	A'	1489	1342	0.88
8	A'	1113	1003	52.92
9	A'	1084	978	49.24
10	A'	759	685	13.05
11	A'	672	605	1.15
12	A'	260	234	0.34
13	A'	183	165	0.16
14	A"	3318	2991	14.55
15	A"	3312	2985	12.65
16	A"	3209	2893	69.21
17	A"	1605	1447	11.71
18	A"	1602	1444	0.25
19	A"	1471	1326	1.48
20	A"	1123	1012	40.93
21	A"	941	849	0.05
22	A"	799	720	0.74
23	A"	731	659	8.38
24	A"	172	155	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.673	0.000
H2	1.366	-0.991	0.000
C3	-0.039	0.539	1.468
C4	-0.039	0.539	-1.468
H5	-1.024	0.993	1.549
H6	-1.024	0.993	-1.549
H7	0.158	-0.014	2.384
H8	0.158	-0.014	-2.384
H9	0.708	1.325	1.358
H10	0.708	1.325	-1.358

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4402	1.9034	1.9034	2.4792	2.4792	2.4810	2.4810	2.5279	2.5279
H2	1.4402		2.5432	2.5432	3.4712	3.4712	2.8455	2.8455	2.7636	2.7636
C3	1.9034	2.5432		2.9352	1.0883	3.2058	1.0882	3.8959	1.0890	3.0261
C4	1.9034	2.5432	2.9352		3.2058	1.0883	3.8959	1.0882	3.0261	1.0890
H5	2.4792	3.4712	1.0883	3.2058		3.0979	1.7632	4.2283	1.7739	3.4000
H6	2.4792	3.4712	3.2058	1.0883	3.0979		4.2283	1.7632	3.4000	1.7739
H7	2.4810	2.8455	1.0882	3.8959	1.7632	4.2283		4.7676	1.7738	4.0118
H8	2.4810	2.8455	3.8959	1.0882	4.2283	1.7632	4.7676		4.0118	1.7738
H9	2.5279	2.7636	1.0890	3.0261	1.7739	3.4000	1.7738	4.0118		2.7159
H10	2.5279	2.7636	3.0261	1.0890	3.4000	1.7739	4.0118	1.7738	2.7159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.861	P1	C3	H7	108.994
P1	C3	H9	112.429	P1	C4	H6	108.861
P1	C4	H8	108.994	P1	C4	H10	112.429
H2	P1	C3	98.080	H2	P1	C4	98.080
C3	P1	C4	100.895	H5	C3	H7	108.216
H5	C3	H9	109.123	H6	C4	H8	108.216
H6	C4	H10	109.123	H7	C3	H9	109.128
H8	C4	H10	109.128

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	P	0.333
2	H	-0.115
3	C	-0.545
4	C	-0.545
5	H	0.146
6	H	0.146
7	H	0.155
8	H	0.155
9	H	0.135
10	H	0.135

	x	y	z	Total
	0.833	1.530	0.000	1.742
CHELPG
AIM
ESP

	x	y	z
x	5.379	-0.547	0.000
y	-0.547	6.107	0.000
z	0.000	0.000	7.541

<r²>	70.859
(<r²>)^1/2	8.418

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)