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	hartrees
Energy at 0K	-421.799486
Energy at 298.15K	-421.807190
HF Energy	-421.799486
Nuclear repulsion energy	112.806962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3014	14.96
2	A'	3119	3010	28.16
3	A'	3034	2928	17.77
4	A'	2384	2300	92.42
5	A'	1491	1439	4.78
6	A'	1490	1438	4.03
7	A'	1333	1286	0.02
8	A'	1016	981	29.22
9	A'	964	930	29.24
10	A'	716	691	1.11
11	A'	654	631	1.57
12	A'	245	236	0.05
13	A'	190	184	0.24
14	A"	3124	3015	7.23
15	A"	3120	3011	0.00
16	A"	3036	2930	19.12
17	A"	1482	1430	5.33
18	A"	1476	1424	2.31
19	A"	1315	1269	0.20
20	A"	1032	996	27.66
21	A"	821	792	0.66
22	A"	719	694	4.40
23	A"	697	673	10.01
24	A"	184	178	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.665	0.000
H2	1.358	-0.930	0.000
C3	-0.038	0.528	1.427
C4	-0.038	0.528	-1.427
H5	-1.032	0.977	1.513
H6	-1.032	0.977	-1.513
H7	0.161	-0.018	2.353
H8	0.161	-0.018	-2.353
H9	0.702	1.327	1.318
H10	0.702	1.327	-1.318

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4205	1.8603	1.8603	2.4444	2.4444	2.4485	2.4485	2.5009	2.5009
H2	1.4205		2.4718	2.4718	3.4113	3.4113	2.7928	2.7928	2.6949	2.6949
C3	1.8603	2.4718		2.8536	1.0943	3.1358	1.0938	3.8244	1.0940	2.9528
C4	1.8603	2.4718	2.8536		3.1358	1.0943	3.8244	1.0938	2.9528	1.0940
H5	2.4444	3.4113	1.0943	3.1358		3.0262	1.7664	4.1668	1.7796	3.3383
H6	2.4444	3.4113	3.1358	1.0943	3.0262		4.1668	1.7664	3.3383	1.7796
H7	2.4485	2.7928	1.0938	3.8244	1.7664	4.1668		4.7062	1.7817	3.9471
H8	2.4485	2.7928	3.8244	1.0938	4.1668	1.7664	4.7062		3.9471	1.7817
H9	2.5009	2.6949	1.0940	2.9528	1.7796	3.3383	1.7817	3.9471		2.6360
H10	2.5009	2.6949	2.9528	1.0940	3.3383	1.7796	3.9471	1.7817	2.6360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.870	P1	C3	H7	109.196
P1	C3	H9	113.102	P1	C4	H6	108.870
P1	C4	H8	109.196	P1	C4	H10	113.102
H2	P1	C3	96.858	H2	P1	C4	96.858
C3	P1	C4	100.167	H5	C3	H7	107.660
H5	C3	H9	108.825	H6	C4	H8	107.660
H6	C4	H10	108.825	H7	C3	H9	109.044
H8	C4	H10	109.044

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.018
2	H	0.047
3	C	-0.466
4	C	-0.466
5	H	0.150
6	H	0.150
7	H	0.156
8	H	0.156
9	H	0.146
10	H	0.146

	x	y	z	Total
	0.464	1.373	0.000	1.449
CHELPG
AIM
ESP

	x	y	z
x	6.081	-0.254	0.000
y	-0.254	6.633	0.000
z	0.000	0.000	7.776

<r²>	82.352
(<r²>)^1/2	9.075

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)