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	hartrees
Energy at 0K	-420.442379
Energy at 298.15K	-420.450002
HF Energy	-420.442379
Nuclear repulsion energy	113.769056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3068	3039	3.28
2	A'	3055	3026	9.69
3	A'	2965	2937	14.18
4	A'	2298	2277	66.73
5	A'	1393	1380	3.83
6	A'	1392	1379	16.50
7	A'	1247	1235	5.67
8	A'	964	955	23.53
9	A'	918	910	25.78
10	A'	701	694	1.11
11	A'	656	650	1.49
12	A'	239	237	0.18
13	A'	185	184	0.23
14	A"	3069	3040	1.12
15	A"	3059	3031	0.12
16	A"	2970	2942	8.05
17	A"	1383	1370	10.83
18	A"	1378	1365	2.07
19	A"	1232	1220	7.21
20	A"	979	970	19.59
21	A"	786	778	0.36
22	A"	727	720	15.64
23	A"	678	671	2.19
24	A"	182	180	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.664	0.000
H2	1.372	-0.923	0.000
C3	-0.038	0.525	1.400
C4	-0.038	0.525	-1.400
H5	-1.039	0.969	1.483
H6	-1.039	0.969	-1.483
H7	0.167	-0.008	2.337
H8	0.167	-0.008	-2.337
H9	0.698	1.331	1.275
H10	0.698	1.331	-1.275

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4336	1.8362	1.8362	2.4228	2.4228	2.4361	2.4361	2.4794	2.4794
H2	1.4336		2.4580	2.4580	3.4050	3.4050	2.7843	2.7843	2.6758	2.6758
C3	1.8362	2.4580		2.7991	1.0988	3.0840	1.0980	3.7803	1.0990	2.8885
C4	1.8362	2.4580	2.7991		3.0840	1.0988	3.7803	1.0980	2.8885	1.0990
H5	2.4228	3.4050	1.0988	3.0840		2.9667	1.7718	4.1240	1.7868	3.2796
H6	2.4228	3.4050	3.0840	1.0988	2.9667		4.1240	1.7718	3.2796	1.7868
H7	2.4361	2.7843	1.0980	3.7803	1.7718	4.1240		4.6747	1.7908	3.8890
H8	2.4361	2.7843	3.7803	1.0980	4.1240	1.7718	4.6747		3.8890	1.7908
H9	2.4794	2.6758	1.0990	2.8885	1.7868	3.2796	1.7908	3.8890		2.5493
H10	2.4794	2.6758	2.8885	1.0990	3.2796	1.7868	3.8890	1.7908	2.5493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.662	P1	C3	H7	109.672
P1	C3	H9	112.865	P1	C4	H6	108.662
P1	C4	H8	109.672	P1	C4	H10	112.865
H2	P1	C3	96.707	H2	P1	C4	96.707
C3	P1	C4	99.317	H5	C3	H7	107.518
H5	C3	H9	108.779	H6	C4	H8	107.518
H6	C4	H10	108.779	H7	C3	H9	109.197
H8	C4	H10	109.197

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: LSDA/aug-cc-pVTZ

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	0.060
2	H	0.061
3	C	-0.692
4	C	-0.692
5	H	0.229
6	H	0.229
7	H	0.189
8	H	0.189
9	H	0.214
10	H	0.214

	x	y	z	Total
	0.412	1.277	0.000	1.342
CHELPG
AIM
ESP

	x	y	z
x	7.615	-0.051	0.000
y	-0.051	8.549	0.000
z	0.000	0.000	9.514

<r²>	81.332
(<r²>)^1/2	9.018

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)