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	hartrees
Energy at 0K	-419.521415
Energy at 298.15K	-419.528995
HF Energy	-419.521415
Nuclear repulsion energy	109.356317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	3055	19.78
2	A'	3071	3055	22.22
3	A'	2988	2971	17.38
4	A'	2123	2111	119.34
5	A'	1517	1508	7.05
6	A'	1510	1502	12.40
7	A'	1344	1336	0.24
8	A'	1014	1009	30.11
9	A'	972	967	39.13
10	A'	716	712	2.15
11	A'	580	576	0.59
12	A'	236	235	0.11
13	A'	174	173	0.14
14	A"	3072	3055	4.33
15	A"	3071	3054	3.89
16	A"	2989	2973	18.59
17	A"	1505	1497	12.69
18	A"	1500	1492	1.05
19	A"	1325	1318	0.09
20	A"	1013	1007	22.81
21	A"	850	846	1.29
22	A"	735	731	0.19
23	A"	624	620	5.69
24	A"	169	168	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.708	0.000
H2	1.410	-0.906	0.000
C3	-0.040	0.563	1.471
C4	-0.040	0.563	-1.471
H5	-1.050	0.991	1.558
H6	-1.050	0.991	-1.558
H7	0.197	0.022	2.399
H8	0.197	0.022	-2.399
H9	0.691	1.370	1.312
H10	0.691	1.370	-1.312

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4635	1.9447	1.9447	2.5169	2.5169	2.5190	2.5190	2.5639	2.5639
H2	1.4635		2.5353	2.5353	3.4755	3.4755	2.8439	2.8439	2.7234	2.7234
C3	1.9447	2.5353		2.9430	1.1002	3.2223	1.1004	3.9157	1.1003	2.9888
C4	1.9447	2.5353	2.9430		3.2223	1.1002	3.9157	1.1004	2.9888	1.1003
H5	2.5169	3.4755	1.1002	3.2223		3.1168	1.7896	4.2613	1.7995	3.3789
H6	2.5169	3.4755	3.2223	1.1002	3.1168		4.2613	1.7896	3.3789	1.7995
H7	2.5190	2.8439	1.1004	3.9157	1.7896	4.2613		4.7986	1.8011	3.9794
H8	2.5190	2.8439	3.9157	1.1004	4.2613	1.7896	4.7986		3.9794	1.8011
H9	2.5639	2.7234	1.1003	2.9888	1.7995	3.3789	1.8011	3.9794		2.6240
H10	2.5639	2.7234	2.9888	1.1003	3.3789	1.7995	3.9794	1.8011	2.6240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.282	P1	C3	H7	108.424
P1	C3	H9	111.677	P1	C4	H6	108.282
P1	C4	H8	108.424	P1	C4	H10	111.677
H2	P1	C3	95.078	H2	P1	C4	95.078
C3	P1	C4	98.342	H5	C3	H7	108.824
H5	C3	H9	109.719	H6	C4	H8	108.824
H6	C4	H10	109.719	H7	C3	H9	109.852
H8	C4	H10	109.852

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: BLYP/3-21G

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	0.422
2	H	-0.013
3	C	-0.799
4	C	-0.799
5	H	0.199
6	H	0.199
7	H	0.201
8	H	0.201
9	H	0.195
10	H	0.195

	x	y	z	Total
	0.516	1.274	0.000	1.374
CHELPG
AIM
ESP

	x	y	z
x	5.669	-0.421	0.000
y	-0.421	5.962	0.000
z	0.000	0.000	7.344

<r²>	86.880
(<r²>)^1/2	9.321

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)