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	hartrees
Energy at 0K	-421.741800
Energy at 298.15K	-421.749453
HF Energy	-421.741800
Nuclear repulsion energy	110.773416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3039	29.53
2	A'	3157	3035	43.60
3	A'	3052	2934	25.44
4	A'	2230	2144	115.04
5	A'	1506	1448	5.72
6	A'	1505	1447	25.19
7	A'	1381	1327	5.03
8	A'	1047	1006	37.27
9	A'	1012	973	45.56
10	A'	731	703	1.44
11	A'	628	603	1.12
12	A'	248	238	0.08
13	A'	174	167	0.27
14	A"	3161	3038	7.16
15	A"	3156	3034	6.21
16	A"	3053	2935	35.37
17	A"	1497	1439	13.98
18	A"	1493	1435	1.63
19	A"	1363	1311	7.43
20	A"	1043	1003	26.93
21	A"	883	849	2.54
22	A"	753	724	0.34
23	A"	676	650	8.48
24	A"	153	147	0.10

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.685	0.000
H2	1.384	-0.946	0.000
C3	-0.039	0.545	1.458
C4	-0.039	0.545	-1.458
H5	-1.038	0.985	1.553
H6	-1.038	0.985	-1.553
H7	0.185	0.005	2.384
H8	0.185	0.005	-2.384
H9	0.694	1.349	1.326
H10	0.694	1.349	-1.326

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4476	1.9071	1.9071	2.4895	2.4895	2.4916	2.4916	2.5360	2.5360
H2	1.4476		2.5252	2.5252	3.4657	3.4657	2.8328	2.8328	2.7393	2.7393
C3	1.9071	2.5252		2.9154	1.0954	3.2028	1.0956	3.8858	1.0958	2.9886
C4	1.9071	2.5252	2.9154		3.2028	1.0954	3.8858	1.0956	2.9886	1.0958
H5	2.4895	3.4657	1.0954	3.2028		3.1070	1.7739	4.2379	1.7842	3.3798
H6	2.4895	3.4657	3.2028	1.0954	3.1070		4.2379	1.7739	3.3798	1.7842
H7	2.4916	2.8328	1.0956	3.8858	1.7739	4.2379		4.7676	1.7846	3.9784
H8	2.4916	2.8328	3.8858	1.0956	4.2379	1.7739	4.7676		3.9784	1.7846
H9	2.5360	2.7393	1.0958	2.9886	1.7842	3.3798	1.7846	3.9784		2.6519
H10	2.5360	2.7393	2.9886	1.0958	3.3798	1.7842	3.9784	1.7846	2.6519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.002	P1	C3	H7	109.144
P1	C3	H9	112.405	P1	C4	H6	109.002
P1	C4	H8	109.144	P1	C4	H10	112.405
H2	P1	C3	96.694	H2	P1	C4	96.694
C3	P1	C4	99.694	H5	C3	H7	108.120
H5	C3	H9	109.029	H6	C4	H8	108.120
H6	C4	H10	109.029	H7	C3	H9	109.048
H8	C4	H10	109.048

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/SDD

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	0.437
2	H	-0.033
3	C	-0.904
4	C	-0.904
5	H	0.238
6	H	0.238
7	H	0.234
8	H	0.234
9	H	0.230
10	H	0.230

	x	y	z	Total
	0.507	1.255	0.000	1.353
CHELPG
AIM
ESP

	x	y	z
x	5.727	-0.446	0.000
y	-0.446	6.096	0.000
z	0.000	0.000	7.704

<r²>	85.292
(<r²>)^1/2	9.235

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)