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	hartrees
Energy at 0K	-421.563153
Energy at 298.15K	-421.570875
HF Energy	-421.563153
Nuclear repulsion energy	112.568642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3040	8.31
2	A'	3153	3033	17.52
3	A'	3053	2937	16.01
4	A'	2365	2275	93.01
5	A'	1447	1392	2.63
6	A'	1446	1391	12.81
7	A'	1300	1250	1.06
8	A'	1000	962	27.02
9	A'	952	916	28.65
10	A'	718	691	0.67
11	A'	665	640	1.57
12	A'	252	243	0.10
13	A'	194	187	0.22
14	A"	3161	3041	3.54
15	A"	3155	3035	0.01
16	A"	3055	2939	16.86
17	A"	1437	1382	8.14
18	A"	1432	1378	2.65
19	A"	1283	1234	0.76
20	A"	1016	977	25.47
21	A"	816	785	1.15
22	A"	729	701	10.02
23	A"	704	677	7.34
24	A"	184	177	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.666	0.000
H2	1.373	-0.933	0.000
C3	-0.038	0.529	1.426
C4	-0.038	0.529	-1.426
H5	-1.039	0.978	1.511
H6	-1.039	0.978	-1.511
H7	0.160	-0.021	2.358
H8	0.160	-0.021	-2.358
H9	0.705	1.334	1.319
H10	0.705	1.334	-1.319

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4359	1.8605	1.8605	2.4477	2.4477	2.4530	2.4530	2.5083	2.5083
H2	1.4359		2.4821	2.4821	3.4288	3.4288	2.8044	2.8044	2.7062	2.7062
C3	1.8605	2.4821		2.8519	1.1010	3.1357	1.1004	3.8292	1.1008	2.9551
C4	1.8605	2.4821	2.8519		3.1357	1.1010	3.8292	1.1004	2.9551	1.1008
H5	2.4477	3.4288	1.1010	3.1357		3.0227	1.7761	4.1727	1.7907	3.3433
H6	2.4477	3.4288	3.1357	1.1010	3.0227		4.1727	1.7761	3.3433	1.7907
H7	2.4530	2.8044	1.1004	3.8292	1.7761	4.1727		4.7167	1.7929	3.9563
H8	2.4530	2.8044	3.8292	1.1004	4.1727	1.7761	4.7167		3.9563	1.7929
H9	2.5083	2.7062	1.1008	2.9551	1.7907	3.3433	1.7929	3.9563		2.6370
H10	2.5083	2.7062	2.9551	1.1008	3.3433	1.7907	3.9563	1.7929	2.6370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.763	P1	C3	H7	109.178
P1	C3	H9	113.266	P1	C4	H6	108.763
P1	C4	H8	109.178	P1	C4	H10	113.266
H2	P1	C3	96.851	H2	P1	C4	96.851
C3	P1	C4	100.071	H5	C3	H7	107.572
H5	C3	H9	108.833	H6	C4	H8	107.572
H6	C4	H10	108.833	H7	C3	H9	109.073
H8	C4	H10	109.073

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.069
2	H	-0.002
3	C	-0.240
4	C	-0.240
5	H	0.071
6	H	0.071
7	H	0.072
8	H	0.072
9	H	0.064
10	H	0.064

	x	y	z	Total
	0.412	1.195	0.000	1.264
CHELPG
AIM
ESP

	x	y	z
x	6.193	-0.402	0.000
y	-0.402	6.536	0.000
z	0.000	0.000	7.876

<r²>	82.706
(<r²>)^1/2	9.094

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)