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	hartrees
Energy at 0K	-421.484320
Energy at 298.15K	-421.491944
HF Energy	-421.484320
Nuclear repulsion energy	111.950894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3076	3041	11.18
2	A'	3069	3034	23.42
3	A'	2979	2945	22.07
4	A'	2303	2277	110.04
5	A'	1434	1418	3.04
6	A'	1433	1417	20.74
7	A'	1294	1279	1.96
8	A'	984	972	29.84
9	A'	940	930	34.15
10	A'	703	695	1.37
11	A'	637	630	2.29
12	A'	248	245	0.29
13	A'	186	184	0.24
14	A"	3077	3042	4.69
15	A"	3071	3036	0.21
16	A"	2981	2947	21.06
17	A"	1425	1409	12.81
18	A"	1420	1403	2.58
19	A"	1275	1261	3.34
20	A"	993	982	25.50
21	A"	806	797	0.55
22	A"	708	700	3.31
23	A"	683	675	14.04
24	A"	178	176	0.05

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.672	0.000
H2	1.378	-0.928	0.000
C3	-0.038	0.533	1.435
C4	-0.038	0.533	-1.435
H5	-1.042	0.979	1.528
H6	-1.042	0.979	-1.528
H7	0.167	-0.014	2.370
H8	0.167	-0.014	-2.370
H9	0.701	1.344	1.327
H10	0.701	1.344	-1.327

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4386	1.8739	1.8739	2.4630	2.4630	2.4678	2.4678	2.5238	2.5238
H2	1.4386		2.4893	2.4893	3.4382	3.4382	2.8132	2.8132	2.7160	2.7160
C3	1.8739	2.4893		2.8705	1.1022	3.1600	1.1020	3.8495	1.1026	2.9718
C4	1.8739	2.4893	2.8705		3.1600	1.1022	3.8495	1.1020	2.9718	1.1026
H5	2.4630	3.4382	1.1022	3.1600		3.0555	1.7767	4.1997	1.7919	3.3642
H6	2.4630	3.4382	3.1600	1.1022	3.0555		4.1997	1.7767	3.3642	1.7919
H7	2.4678	2.8132	1.1020	3.8495	1.7767	4.1997		4.7393	1.7934	3.9738
H8	2.4678	2.8132	3.8495	1.1020	4.1997	1.7767	4.7393		3.9738	1.7934
H9	2.5238	2.7160	1.1026	2.9718	1.7919	3.3642	1.7934	3.9738		2.6533
H10	2.5238	2.7160	2.9718	1.1026	3.3642	1.7919	3.9738	1.7934	2.6533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.926	P1	C3	H7	109.290
P1	C3	H9	113.422	P1	C4	H6	108.926
P1	C4	H8	109.290	P1	C4	H10	113.422
H2	P1	C3	96.556	H2	P1	C4	96.556
C3	P1	C4	99.977	H5	C3	H7	107.421
H5	C3	H9	108.725	H6	C4	H8	107.421
H6	C4	H10	108.725	H7	C3	H9	108.884
H8	C4	H10	108.884

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: PBEPBEultrafine/6-31+G**

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	0.232
2	H	-0.005
3	C	-0.693
4	C	-0.693
5	H	0.194
6	H	0.194
7	H	0.195
8	H	0.195
9	H	0.190
10	H	0.190

	x	y	z	Total
	0.503	1.304	0.000	1.398
CHELPG
AIM
ESP

	x	y	z
x	6.781	-0.181	0.000
y	-0.181	7.574	0.000
z	0.000	0.000	8.625

<r²>	83.944
(<r²>)^1/2	9.162

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)