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	hartrees
Energy at 0K	-416.986834
Energy at 298.15K	-416.994608
HF Energy	-416.986834
Nuclear repulsion energy	112.570037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3104	2.49
2	A'	3472	3099	5.23
3	A'	3302	2947	1.42
4	A'	2751	2455	51.72
5	A'	1701	1518	1.43
6	A'	1697	1515	6.65
7	A'	1544	1378	0.78
8	A'	1171	1045	36.51
9	A'	1084	967	23.93
10	A'	857	765	1.43
11	A'	774	690	1.49
12	A'	299	267	0.62
13	A'	181	162	0.01
14	A"	3478	3104	0.23
15	A"	3472	3099	0.73
16	A"	3304	2948	1.53
17	A"	1697	1515	4.68
18	A"	1694	1512	0.27
19	A"	1527	1363	0.78
20	A"	1173	1047	30.17
21	A"	965	861	1.47
22	A"	859	766	0.53
23	A"	818	730	8.20
24	A"	174	155	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.693	0.000
H2	1.365	-0.853	0.000
C3	-0.039	0.541	1.406
C4	-0.039	0.541	-1.406
H5	-1.033	0.998	1.508
H6	-1.033	0.998	-1.508
H7	0.189	0.030	2.351
H8	0.189	0.030	-2.351
H9	0.693	1.349	1.269
H10	0.693	1.349	-1.269

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4137	1.8704	1.8704	2.4737	2.4737	2.4705	2.4705	2.5128	2.5128
H2	1.4137		2.4277	2.4277	3.3842	3.3842	2.7735	2.7735	2.6290	2.6290
C3	1.8704	2.4277		2.8119	1.0984	3.1125	1.0987	3.7988	1.0991	2.8885
C4	1.8704	2.4277	2.8119		3.1125	1.0984	3.7988	1.0987	2.8885	1.0991
H5	2.4737	3.3842	1.0984	3.1125		3.0162	1.7724	4.1624	1.7777	3.2884
H6	2.4737	3.3842	3.1125	1.0984	3.0162		4.1624	1.7724	3.2884	1.7777
H7	2.4705	2.7735	1.0987	3.7988	1.7724	4.1624		4.7027	1.7792	3.8857
H8	2.4705	2.7735	3.7988	1.0987	4.1624	1.7724	4.7027		3.8857	1.7792
H9	2.5128	2.6290	1.0991	2.8885	1.7777	3.2884	1.7792	3.8857		2.5375
H10	2.5128	2.6290	2.8885	1.0991	3.2884	1.7777	3.8857	1.7792	2.5375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	110.132	P1	C3	H7	109.878
P1	C3	H9	113.015	P1	C4	H6	110.132
P1	C4	H8	109.878	P1	C4	H10	113.015
H2	P1	C3	94.302	H2	P1	C4	94.302
C3	P1	C4	97.470	H5	C3	H7	107.551
H5	C3	H9	107.987	H6	C4	H8	107.551
H6	C4	H10	107.987	H7	C3	H9	108.102
H8	C4	H10	108.102

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/STO-3G

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	0.401
2	H	-0.099
3	C	-0.357
4	C	-0.357
5	H	0.069
6	H	0.069
7	H	0.069
8	H	0.069
9	H	0.067
10	H	0.067

	x	y	z	Total
	0.269	0.380	0.000	0.466
CHELPG
AIM
ESP

	x	y	z
x	2.818	-0.387	0.000
y	-0.387	2.788	0.000
z	0.000	0.000	3.866

<r²>	80.925
(<r²>)^1/2	8.996

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)