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	hartrees
Energy at 0K	-421.710662
Energy at 298.15K	-421.718392
HF Energy	-421.710662
Nuclear repulsion energy	112.676998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3023	12.05
2	A'	3149	3018	23.99
3	A'	3056	2929	16.11
4	A'	2382	2283	112.24
5	A'	1487	1425	2.61
6	A'	1486	1424	14.51
7	A'	1345	1289	1.32
8	A'	1020	978	36.12
9	A'	977	936	38.03
10	A'	724	694	1.46
11	A'	661	634	1.39
12	A'	252	242	0.10
13	A'	192	184	0.26
14	A"	3155	3024	5.07
15	A"	3151	3020	0.04
16	A"	3058	2931	15.98
17	A"	1477	1416	9.73
18	A"	1472	1411	2.43
19	A"	1328	1273	2.41
20	A"	1034	991	29.54
21	A"	836	802	0.95
22	A"	734	703	3.12
23	A"	710	680	11.58
24	A"	182	174	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.664	0.000
H2	1.362	-0.935	0.000
C3	-0.038	0.527	1.431
C4	-0.038	0.527	-1.431
H5	-1.031	0.976	1.520
H6	-1.031	0.976	-1.520
H7	0.159	-0.021	2.356
H8	0.159	-0.021	-2.356
H9	0.701	1.328	1.330
H10	0.701	1.328	-1.330

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4254	1.8616	1.8616	2.4473	2.4473	2.4501	2.4501	2.5061	2.5061
H2	1.4254		2.4784	2.4784	3.4192	3.4192	2.7984	2.7984	2.7061	2.7061
C3	1.8616	2.4784		2.8612	1.0941	3.1461	1.0938	3.8313	1.0940	2.9674
C4	1.8616	2.4784	2.8612		3.1461	1.0941	3.8313	1.0938	2.9674	1.0940
H5	2.4473	3.4192	1.0941	3.1461		3.0409	1.7640	4.1762	1.7781	3.3539
H6	2.4473	3.4192	3.1461	1.0941	3.0409		4.1762	1.7640	3.3539	1.7781
H7	2.4501	2.7984	1.0938	3.8313	1.7640	4.1762		4.7122	1.7797	3.9621
H8	2.4501	2.7984	3.8313	1.0938	4.1762	1.7640	4.7122		3.9621	1.7797
H9	2.5061	2.7061	1.0940	2.9674	1.7781	3.3539	1.7797	3.9621		2.6593
H10	2.5061	2.7061	2.9674	1.0940	3.3539	1.7781	3.9621	1.7797	2.6593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.008	P1	C3	H7	109.226
P1	C3	H9	113.407	P1	C4	H6	109.008
P1	C4	H8	109.226	P1	C4	H10	113.407
H2	P1	C3	96.984	H2	P1	C4	96.984
C3	P1	C4	100.435	H5	C3	H7	107.459
H5	C3	H9	108.706	H6	C4	H8	107.459
H6	C4	H10	108.706	H7	C3	H9	108.865
H8	C4	H10	108.865

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3PW91/6-31G**

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	0.270
2	H	-0.030
3	C	-0.579
4	C	-0.579
5	H	0.153
6	H	0.153
7	H	0.156
8	H	0.156
9	H	0.150
10	H	0.150

	x	y	z	Total
	0.500	1.366	0.000	1.454
CHELPG
AIM
ESP

	x	y	z
x	5.858	-0.344	0.000
y	-0.344	6.252	0.000
z	0.000	0.000	7.386

<r²>	82.632
(<r²>)^1/2	9.090

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)