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	hartrees
Energy at 0K	-421.398121
Energy at 298.15K	-421.405811
HF Energy	-421.314616
Nuclear repulsion energy	110.495689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3181	16.17
2	A'	3174	3174	28.65
3	A'	3078	3078	21.02
4	A'	2244	2244	155.08
5	A'	1541	1541	3.49
6	A'	1540	1540	18.72
7	A'	1404	1404	1.02
8	A'	1048	1048	31.72
9	A'	1016	1016	43.98
10	A'	723	723	4.34
11	A'	628	628	1.07
12	A'	246	246	0.16
13	A'	176	176	0.14
14	A"	3181	3181	5.62
15	A"	3174	3174	3.06
16	A"	3080	3080	22.10
17	A"	1532	1532	13.08
18	A"	1529	1529	1.30
19	A"	1386	1386	1.52
20	A"	1043	1043	26.62
21	A"	890	890	0.66
22	A"	746	746	0.36
23	A"	681	681	8.36
24	A"	167	167	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.689	0.000
H2	1.385	-0.966	0.000
C3	-0.039	0.550	1.462
C4	-0.039	0.550	-1.462
H5	-1.036	0.991	1.545
H6	-1.036	0.991	-1.545
H7	0.177	0.010	2.387
H8	0.177	0.010	-2.387
H9	0.697	1.348	1.327
H10	0.697	1.348	-1.327

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4513	1.9163	1.9163	2.4903	2.4903	2.4966	2.4966	2.5399	2.5399
H2	1.4513		2.5427	2.5427	3.4755	3.4755	2.8477	2.8477	2.7547	2.7547
C3	1.9163	2.5427		2.9233	1.0930	3.1976	1.0929	3.8922	1.0935	2.9926
C4	1.9163	2.5427	2.9233		3.1976	1.0930	3.8922	1.0929	2.9926	1.0935
H5	2.4903	3.4755	1.0930	3.1976		3.0890	1.7730	4.2296	1.7825	3.3730
H6	2.4903	3.4755	3.1976	1.0930	3.0890		4.2296	1.7730	3.3730	1.7825
H7	2.4966	2.8477	1.0929	3.8922	1.7730	4.2296		4.7737	1.7834	3.9815
H8	2.4966	2.8477	3.8922	1.0929	4.2296	1.7730	4.7737		3.9815	1.7834
H9	2.5399	2.7547	1.0935	2.9926	1.7825	3.3730	1.7834	3.9815		2.6546
H10	2.5399	2.7547	2.9926	1.0935	3.3730	1.7825	3.9815	1.7834	2.6546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.582	P1	C3	H7	109.041
P1	C3	H9	112.197	P1	C4	H6	108.582
P1	C4	H8	109.041	P1	C4	H10	112.197
H2	P1	C3	97.091	H2	P1	C4	97.091
C3	P1	C4	99.412	H5	C3	H7	108.414
H5	C3	H9	109.222	H6	C4	H8	108.414
H6	C4	H10	109.222	H7	C3	H9	109.309
H8	C4	H10	109.309

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP/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	0.403
2	H	-0.041
3	C	-0.671
4	C	-0.671
5	H	0.165
6	H	0.165
7	H	0.166
8	H	0.166
9	H	0.160
10	H	0.160

	x	y	z	Total
	0.592	1.387	0.000	1.508
CHELPG
AIM
ESP

	x	y	z
x	5.809	-0.461	0.000
y	-0.461	6.155	0.000
z	0.000	0.000	7.393

<r²>	85.875
(<r²>)^1/2	9.267

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)