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	hartrees
Energy at 0K	-416.971455
Energy at 298.15K	-416.979263
HF Energy	-416.971455
Nuclear repulsion energy	113.378691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	3113	0.94
2	A'	3518	3107	3.02
3	A'	3343	2952	0.93
4	A'	2809	2481	43.94
5	A'	1704	1504	1.78
6	A'	1699	1500	7.64
7	A'	1549	1368	1.28
8	A'	1174	1037	36.75
9	A'	1090	963	24.94
10	A'	856	756	1.33
11	A'	796	703	1.20
12	A'	298	263	0.57
13	A'	185	163	0.02
14	A"	3524	3112	0.04
15	A"	3519	3107	0.25
16	A"	3345	2954	0.70
17	A"	1700	1501	5.40
18	A"	1696	1497	0.27
19	A"	1532	1353	0.22
20	A"	1183	1045	29.75
21	A"	970	856	1.63
22	A"	863	762	0.06
23	A"	843	744	7.82
24	A"	179	158	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.688	0.000
H2	1.358	-0.851	0.000
C3	-0.039	0.537	1.393
C4	-0.039	0.537	-1.393
H5	-1.031	0.986	1.500
H6	-1.031	0.986	-1.500
H7	0.196	0.031	2.335
H8	0.196	0.031	-2.335
H9	0.685	1.346	1.251
H10	0.685	1.346	-1.251

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4071	1.8544	1.8544	2.4568	2.4568	2.4547	2.4547	2.4951	2.4951
H2	1.4071		2.4124	2.4124	3.3670	3.3670	2.7539	2.7539	2.6167	2.6167
C3	1.8544	2.4124		2.7860	1.0947	3.0910	1.0949	3.7698	1.0953	2.8585
C4	1.8544	2.4124	2.7860		3.0910	1.0947	3.7698	1.0949	2.8585	1.0953
H5	2.4568	3.3670	1.0947	3.0910		2.9993	1.7656	4.1384	1.7711	3.2622
H6	2.4568	3.3670	3.0910	1.0947	2.9993		4.1384	1.7656	3.2622	1.7711
H7	2.4547	2.7539	1.0949	3.7698	1.7656	4.1384		4.6708	1.7731	3.8512
H8	2.4547	2.7539	3.7698	1.0949	4.1384	1.7656	4.6708		3.8512	1.7731
H9	2.4951	2.6167	1.0953	2.8585	1.7711	3.2622	1.7731	3.8512		2.5023
H10	2.4951	2.6167	2.8585	1.0953	3.2622	1.7711	3.8512	1.7731	2.5023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	110.149	P1	C3	H7	109.986
P1	C3	H9	112.992	P1	C4	H6	110.149
P1	C4	H8	109.986	P1	C4	H10	112.992
H2	P1	C3	94.401	H2	P1	C4	94.401
C3	P1	C4	97.384	H5	C3	H7	107.485
H5	C3	H9	107.942	H6	C4	H8	107.485
H6	C4	H10	107.942	H7	C3	H9	108.105
H8	C4	H10	108.105

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B1B95/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	0.386
2	H	-0.092
3	C	-0.366
4	C	-0.366
5	H	0.073
6	H	0.073
7	H	0.074
8	H	0.074
9	H	0.071
10	H	0.071

	x	y	z	Total
	0.318	0.462	0.000	0.561
CHELPG
AIM
ESP

	x	y	z
x	2.775	-0.380	0.000
y	-0.380	2.722	0.000
z	0.000	0.000	3.748

<r²>	79.881
(<r²>)^1/2	8.938

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)