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	hartrees
Energy at 0K	-421.735043
Energy at 298.15K	-421.742671
HF Energy	-421.735043
Nuclear repulsion energy	111.515285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3030	3023	22.51
2	A'	3025	3018	38.66
3	A'	2956	2948	27.36
4	A'	2238	2233	113.61
5	A'	1466	1462	6.32
6	A'	1462	1459	12.01
7	A'	1324	1320	0.49
8	A'	1002	999	43.83
9	A'	956	954	38.84
10	A'	709	707	1.64
11	A'	614	612	2.58
12	A'	246	246	0.33
13	A'	188	187	0.27
14	A"	3030	3023	9.85
15	A"	3026	3019	1.13
16	A"	2957	2950	25.73
17	A"	1454	1451	12.78
18	A"	1451	1447	0.28
19	A"	1305	1302	1.23
20	A"	1007	1004	30.22
21	A"	823	821	0.72
22	A"	715	713	0.00
23	A"	659	658	15.83
24	A"	177	176	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.675	0.000
H2	1.379	-0.924	0.000
C3	-0.038	0.535	1.446
C4	-0.038	0.535	-1.446
H5	-1.038	0.982	1.542
H6	-1.038	0.982	-1.542
H7	0.168	-0.012	2.376
H8	0.168	-0.012	-2.376
H9	0.698	1.345	1.343
H10	0.698	1.345	-1.343

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4390	1.8853	1.8853	2.4746	2.4746	2.4755	2.4755	2.5349	2.5349
H2	1.4390		2.4957	2.4957	3.4430	3.4430	2.8188	2.8188	2.7230	2.7230
C3	1.8853	2.4957		2.8910	1.0992	3.1823	1.0991	3.8661	1.0993	2.9955
C4	1.8853	2.4957	2.8910		3.1823	1.0992	3.8661	1.0991	2.9955	1.0993
H5	2.4746	3.4430	1.0992	3.1823		3.0849	1.7710	4.2186	1.7853	3.3871
H6	2.4746	3.4430	3.1823	1.0992	3.0849		4.2186	1.7710	3.3871	1.7853
H7	2.4755	2.8188	1.0991	3.8661	1.7710	4.2186		4.7523	1.7861	3.9941
H8	2.4755	2.8188	3.8661	1.0991	4.2186	1.7710	4.7523		3.9941	1.7861
H9	2.5349	2.7230	1.0993	2.9955	1.7853	3.3871	1.7861	3.9941		2.6857
H10	2.5349	2.7230	2.9955	1.0993	3.3871	1.7853	3.9941	1.7861	2.6857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.167	P1	C3	H7	109.241
P1	C3	H9	113.646	P1	C4	H6	109.167
P1	C4	H8	109.241	P1	C4	H10	113.646
H2	P1	C3	96.384	H2	P1	C4	96.384
C3	P1	C4	100.120	H5	C3	H7	107.340
H5	C3	H9	108.587	H6	C4	H8	107.340
H6	C4	H10	108.587	H7	C3	H9	108.669
H8	C4	H10	108.669

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: BLYP/6-311G*

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	0.283
2	H	0.033
3	C	-0.814
4	C	-0.814
5	H	0.219
6	H	0.219
7	H	0.223
8	H	0.223
9	H	0.214
10	H	0.214

	x	y	z	Total
	0.420	1.220	0.000	1.290
CHELPG
AIM
ESP

	x	y	z
x	6.632	-0.239	0.000
y	-0.239	7.145	0.000
z	0.000	0.000	8.240

<r²>	84.824
(<r²>)^1/2	9.210

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)