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	hartrees
Energy at 0K	-421.835933
Energy at 298.15K	-421.843632
HF Energy	-421.835933
Nuclear repulsion energy	112.430236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3002	16.89
2	A'	3111	2998	32.81
3	A'	3031	2921	22.09
4	A'	2366	2280	98.63
5	A'	1492	1438	1.59
6	A'	1491	1437	14.25
7	A'	1341	1292	0.54
8	A'	1017	980	26.86
9	A'	968	933	30.42
10	A'	718	692	1.79
11	A'	649	626	1.81
12	A'	242	233	0.24
13	A'	189	182	0.19
14	A"	3116	3003	8.10
15	A"	3112	2999	0.18
16	A"	3033	2923	22.82
17	A"	1483	1430	8.47
18	A"	1479	1425	2.84
19	A"	1323	1275	0.57
20	A"	1029	992	26.59
21	A"	828	798	0.28
22	A"	723	696	0.90
23	A"	695	670	14.35
24	A"	175	169	0.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.669	0.000
H2	1.364	-0.931	0.000
C3	-0.038	0.532	1.433
C4	-0.038	0.532	-1.433
H5	-1.032	0.977	1.522
H6	-1.032	0.977	-1.522
H7	0.164	-0.015	2.357
H8	0.164	-0.015	-2.357
H9	0.699	1.330	1.323
H10	0.699	1.330	-1.323

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4258	1.8699	1.8699	2.4521	2.4521	2.4548	2.4548	2.5080	2.5080
H2	1.4258		2.4814	2.4814	3.4194	3.4194	2.7988	2.7988	2.7024	2.7024
C3	1.8699	2.4814		2.8669	1.0925	3.1498	1.0922	3.8352	1.0923	2.9627
C4	1.8699	2.4814	2.8669		3.1498	1.0925	3.8352	1.0922	2.9627	1.0923
H5	2.4521	3.4194	1.0925	3.1498		3.0444	1.7638	4.1790	1.7778	3.3489
H6	2.4521	3.4194	3.1498	1.0925	3.0444		4.1790	1.7638	3.3489	1.7778
H7	2.4548	2.7988	1.0922	3.8352	1.7638	4.1790		4.7145	1.7789	3.9544
H8	2.4548	2.7988	3.8352	1.0922	4.1790	1.7638	4.7145		3.9544	1.7789
H9	2.5080	2.7024	1.0923	2.9627	1.7778	3.3489	1.7789	3.9544		2.6456
H10	2.5080	2.7024	2.9627	1.0923	3.3489	1.7778	3.9544	1.7789	2.6456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.894	P1	C3	H7	109.102
P1	C3	H9	113.064	P1	C4	H6	108.894
P1	C4	H8	109.102	P1	C4	H10	113.064
H2	P1	C3	96.767	H2	P1	C4	96.767
C3	P1	C4	100.097	H5	C3	H7	107.679
H5	C3	H9	108.925	H6	C4	H8	107.679
H6	C4	H10	108.925	H7	C3	H9	109.037
H8	C4	H10	109.037

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: TPSSh/TZVP

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	0.145
2	H	-0.025
3	C	-0.436
4	C	-0.436
5	H	0.123
6	H	0.123
7	H	0.131
8	H	0.131
9	H	0.123
10	H	0.123

	x	y	z	Total
	0.472	1.228	0.000	1.316
CHELPG
AIM
ESP

	x	y	z
x	6.588	-0.273	0.000
y	-0.273	7.136	0.000
z	0.000	0.000	8.377

<r²>	83.242
(<r²>)^1/2	9.124

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)