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	hartrees
Energy at 0K	-421.683606
Energy at 298.15K	-421.691295
HF Energy	-421.683606
Nuclear repulsion energy	111.336776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3053	11.87
2	A'	3193	3045	24.48
3	A'	3089	2946	19.84
4	A'	2264	2159	146.51
5	A'	1528	1457	7.04
6	A'	1525	1454	22.29
7	A'	1387	1323	2.98
8	A'	1043	994	34.12
9	A'	1009	962	48.71
10	A'	733	699	3.51
11	A'	645	615	0.71
12	A'	239	228	0.11
13	A'	175	167	0.24
14	A"	3201	3053	4.82
15	A"	3195	3047	1.73
16	A"	3091	2948	19.07
17	A"	1517	1447	17.46
18	A"	1514	1444	0.00
19	A"	1370	1307	5.60
20	A"	1039	991	24.89
21	A"	879	839	1.01
22	A"	752	717	0.00
23	A"	699	666	8.58
24	A"	164	156	0.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.685	0.000
H2	1.383	-0.950	0.000
C3	-0.039	0.546	1.445
C4	-0.039	0.546	-1.445
H5	-1.034	0.984	1.530
H6	-1.034	0.984	-1.530
H7	0.177	0.009	2.370
H8	0.177	0.009	-2.370
H9	0.693	1.343	1.311
H10	0.693	1.343	-1.311

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4469	1.8980	1.8980	2.4726	2.4726	2.4790	2.4790	2.5232	2.5232
H2	1.4469		2.5195	2.5195	3.4530	3.4530	2.8269	2.8269	2.7297	2.7297
C3	1.8980	2.5195		2.8907	1.0908	3.1676	1.0906	3.8589	1.0913	2.9612
C4	1.8980	2.5195	2.8907		3.1676	1.0908	3.8589	1.0906	2.9612	1.0913
H5	2.4726	3.4530	1.0908	3.1676		3.0594	1.7674	4.1983	1.7784	3.3441
H6	2.4726	3.4530	3.1676	1.0908	3.0594		4.1983	1.7674	3.3441	1.7784
H7	2.4790	2.8269	1.0906	3.8589	1.7674	4.1983		4.7401	1.7799	3.9489
H8	2.4790	2.8269	3.8589	1.0906	4.1983	1.7674	4.7401		3.9489	1.7799
H9	2.5232	2.7297	1.0913	2.9612	1.7784	3.3441	1.7799	3.9489		2.6214
H10	2.5232	2.7297	2.9612	1.0913	3.3441	1.7784	3.9489	1.7799	2.6214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.617	P1	C3	H7	109.085
P1	C3	H9	112.321	P1	C4	H6	108.617
P1	C4	H8	109.085	P1	C4	H10	112.321
H2	P1	C3	96.819	H2	P1	C4	96.819
C3	P1	C4	99.196	H5	C3	H7	108.236
H5	C3	H9	109.175	H6	C4	H8	108.236
H6	C4	H10	109.175	H7	C3	H9	109.320
H8	C4	H10	109.320

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B1B95/6-31G

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	0.365
2	H	-0.014
3	C	-0.733
4	C	-0.733
5	H	0.188
6	H	0.188
7	H	0.189
8	H	0.189
9	H	0.181
10	H	0.181

	x	y	z	Total
	0.621	1.458	0.000	1.585
CHELPG
AIM
ESP

	x	y	z
x	5.778	-0.424	0.000
y	-0.424	6.099	0.000
z	0.000	0.000	7.279

<r²>	84.350
(<r²>)^1/2	9.184

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)