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	hartrees
Energy at 0K	-421.792695
Energy at 298.15K	-421.800407
HF Energy	-421.792695
Nuclear repulsion energy	112.678544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3014	13.78
2	A'	3118	3009	23.35
3	A'	3037	2931	15.05
4	A'	2354	2272	92.34
5	A'	1478	1426	1.95
6	A'	1478	1426	7.48
7	A'	1328	1282	0.15
8	A'	1012	977	29.67
9	A'	963	930	29.54
10	A'	717	692	0.92
11	A'	650	628	1.91
12	A'	252	243	0.06
13	A'	192	185	0.22
14	A"	3124	3015	5.74
15	A"	3119	3010	0.10
16	A"	3039	2932	15.33
17	A"	1470	1419	5.46
18	A"	1464	1412	2.46
19	A"	1312	1266	0.00
20	A"	1029	993	27.25
21	A"	826	797	0.82
22	A"	723	698	1.58
23	A"	698	674	13.23
24	A"	183	177	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.665	0.000
H2	1.361	-0.935	0.000
C3	-0.038	0.528	1.430
C4	-0.038	0.528	-1.430
H5	-1.031	0.977	1.517
H6	-1.031	0.977	-1.517
H7	0.159	-0.020	2.356
H8	0.159	-0.020	-2.356
H9	0.701	1.327	1.326
H10	0.701	1.327	-1.326

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4246	1.8623	1.8623	2.4465	2.4465	2.4507	2.4507	2.5042	2.5042
H2	1.4246		2.4786	2.4786	3.4181	3.4181	2.7989	2.7989	2.7040	2.7040
C3	1.8623	2.4786		2.8609	1.0940	3.1430	1.0935	3.8311	1.0935	2.9637
C4	1.8623	2.4786	2.8609		3.1430	1.0940	3.8311	1.0935	2.9637	1.0935
H5	2.4465	3.4181	1.0940	3.1430		3.0347	1.7650	4.1732	1.7780	3.3481
H6	2.4465	3.4181	3.1430	1.0940	3.0347		4.1732	1.7650	3.3481	1.7780
H7	2.4507	2.7989	1.0935	3.8311	1.7650	4.1732		4.7123	1.7801	3.9582
H8	2.4507	2.7989	3.8311	1.0935	4.1732	1.7650	4.7123		3.9582	1.7801
H9	2.5042	2.7040	1.0935	2.9637	1.7780	3.3481	1.7801	3.9582		2.6522
H10	2.5042	2.7040	2.9637	1.0935	3.3481	1.7780	3.9582	1.7801	2.6522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.906	P1	C3	H7	109.242
P1	C3	H9	113.243	P1	C4	H6	108.906
P1	C4	H8	109.242	P1	C4	H10	113.243
H2	P1	C3	96.992	H2	P1	C4	96.992
C3	P1	C4	100.369	H5	C3	H7	107.580
H5	C3	H9	108.745	H6	C4	H8	107.580
H6	C4	H10	108.745	H7	C3	H9	108.970
H8	C4	H10	108.970

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/6-31G(2df,p)

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	-0.044
2	H	0.042
3	C	-0.390
4	C	-0.390
5	H	0.130
6	H	0.130
7	H	0.135
8	H	0.135
9	H	0.126
10	H	0.126

	x	y	z	Total
	0.448	1.329	0.000	1.403
CHELPG
AIM
ESP

	x	y	z
x	6.053	-0.259	0.000
y	-0.259	6.591	0.000
z	0.000	0.000	7.737

<r²>	82.649
(<r²>)^1/2	9.091

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)