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	hartrees
Energy at 0K	-421.538097
Energy at 298.15K	-421.545834
HF Energy	-421.538097
Nuclear repulsion energy	113.253423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3024	8.84
2	A'	3154	3018	16.05
3	A'	3059	2928	12.62
4	A'	2388	2285	83.11
5	A'	1472	1408	8.23
6	A'	1471	1408	4.28
7	A'	1320	1264	0.98
8	A'	1009	966	30.52
9	A'	963	921	31.92
10	A'	720	689	1.04
11	A'	672	643	1.39
12	A'	253	242	0.05
13	A'	193	185	0.29
14	A"	3161	3025	3.17
15	A"	3155	3020	0.10
16	A"	3062	2930	11.98
17	A"	1463	1400	6.50
18	A"	1456	1393	2.92
19	A"	1304	1248	0.81
20	A"	1027	983	26.10
21	A"	822	787	0.96
22	A"	735	704	11.24
23	A"	708	677	4.18
24	A"	185	177	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.661	0.000
H2	1.360	-0.932	0.000
C3	-0.038	0.525	1.419
C4	-0.038	0.525	-1.419
H5	-1.031	0.975	1.503
H6	-1.031	0.975	-1.503
H7	0.157	-0.022	2.346
H8	0.157	-0.022	-2.346
H9	0.703	1.322	1.313
H10	0.703	1.322	-1.313

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4239	1.8495	1.8495	2.4334	2.4334	2.4391	2.4391	2.4912	2.4912
H2	1.4239		2.4682	2.4682	3.4081	3.4081	2.7894	2.7894	2.6909	2.6909
C3	1.8495	2.4682		2.8386	1.0939	3.1192	1.0933	3.8096	1.0934	2.9410
C4	1.8495	2.4682	2.8386		3.1192	1.0939	3.8096	1.0933	2.9410	1.0934
H5	2.4334	3.4081	1.0939	3.1192		3.0061	1.7648	4.1495	1.7787	3.3253
H6	2.4334	3.4081	3.1192	1.0939	3.0061		4.1495	1.7648	3.3253	1.7787
H7	2.4391	2.7894	1.0933	3.8096	1.7648	4.1495		4.6918	1.7812	3.9361
H8	2.4391	2.7894	3.8096	1.0933	4.1495	1.7648	4.6918		3.9361	1.7812
H9	2.4912	2.6909	1.0934	2.9410	1.7787	3.3253	1.7812	3.9361		2.6259
H10	2.4912	2.6909	2.9410	1.0934	3.3253	1.7787	3.9361	1.7812	2.6259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.809	P1	C3	H7	109.254
P1	C3	H9	113.146	P1	C4	H6	108.809
P1	C4	H8	109.254	P1	C4	H10	113.146
H2	P1	C3	97.022	H2	P1	C4	97.022
C3	P1	C4	100.242	H5	C3	H7	107.583
H5	C3	H9	108.815	H6	C4	H8	107.583
H6	C4	H10	108.815	H7	C3	H9	109.083
H8	C4	H10	109.083

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: PBE1PBE/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	-0.043
2	H	0.061
3	C	-0.484
4	C	-0.484
5	H	0.158
6	H	0.158
7	H	0.164
8	H	0.164
9	H	0.153
10	H	0.153

	x	y	z	Total
	0.475	1.400	0.000	1.478
CHELPG
AIM
ESP

	x	y	z
x	6.060	-0.253	0.000
y	-0.253	6.570	0.000
z	0.000	0.000	7.668

<r²>	81.763
(<r²>)^1/2	9.042

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)