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	hartrees
Energy at 0K	-421.726715
Energy at 298.15K	-421.734367
HF Energy	-421.726715
Nuclear repulsion energy	110.405461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3043	16.64
2	A'	3157	3037	30.51
3	A'	3061	2944	21.65
4	A'	2218	2134	158.09
5	A'	1526	1468	6.06
6	A'	1524	1466	17.33
7	A'	1381	1328	1.16
8	A'	1035	996	32.72
9	A'	1004	965	45.22
10	A'	721	693	3.27
11	A'	618	594	0.90
12	A'	242	233	0.10
13	A'	174	167	0.19
14	A"	3162	3042	6.54
15	A"	3157	3037	2.50
16	A"	3062	2946	22.88
17	A"	1516	1459	14.74
18	A"	1514	1456	0.34
19	A"	1364	1312	1.79
20	A"	1032	993	25.34
21	A"	876	842	0.79
22	A"	745	717	0.13
23	A"	671	645	7.88
24	A"	165	158	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.690	0.000
H2	1.392	-0.952	0.000
C3	-0.039	0.551	1.463
C4	-0.039	0.551	-1.463
H5	-1.038	0.988	1.548
H6	-1.038	0.988	-1.548
H7	0.180	0.009	2.387
H8	0.180	0.009	-2.387
H9	0.694	1.351	1.328
H10	0.694	1.351	-1.328

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4549	1.9182	1.9182	2.4920	2.4920	2.4967	2.4967	2.5433	2.5433
H2	1.4549		2.5388	2.5388	3.4733	3.4733	2.8441	2.8441	2.7481	2.7481
C3	1.9182	2.5388		2.9256	1.0936	3.2023	1.0934	3.8938	1.0939	2.9948
C4	1.9182	2.5388	2.9256		3.2023	1.0936	3.8938	1.0934	2.9948	1.0939
H5	2.4920	3.4733	1.0936	3.2023		3.0963	1.7735	4.2339	1.7839	3.3776
H6	2.4920	3.4733	3.2023	1.0936	3.0963		4.2339	1.7735	3.3776	1.7839
H7	2.4967	2.8441	1.0934	3.8938	1.7735	4.2339		4.7738	1.7850	3.9836
H8	2.4967	2.8441	3.8938	1.0934	4.2339	1.7735	4.7738		3.9836	1.7850
H9	2.5433	2.7481	1.0939	2.9948	1.7839	3.3776	1.7850	3.9836		2.6567
H10	2.5433	2.7481	2.9948	1.0939	3.3776	1.7839	3.9836	1.7850	2.6567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.550	P1	C3	H7	108.900
P1	C3	H9	112.295	P1	C4	H6	108.550
P1	C4	H8	108.900	P1	C4	H10	112.295
H2	P1	C3	96.680	H2	P1	C4	96.680
C3	P1	C4	99.387	H5	C3	H7	108.366
H5	C3	H9	109.263	H6	C4	H8	108.366
H6	C4	H10	109.263	H7	C3	H9	109.386
H8	C4	H10	109.386

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	P	0.364
2	H	-0.032
3	C	-0.657
4	C	-0.657
5	H	0.165
6	H	0.165
7	H	0.166
8	H	0.166
9	H	0.160
10	H	0.160

	x	y	z	Total
	0.579	1.413	0.000	1.527
CHELPG
AIM
ESP

	x	y	z
x	5.830	-0.436	0.000
y	-0.436	6.180	0.000
z	0.000	0.000	7.444

<r²>	85.731
(<r²>)^1/2	9.259

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)