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	hartrees
Energy at 0K	-419.714345
Energy at 298.15K	-419.722164
HF Energy	-419.714345
Nuclear repulsion energy	112.513440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	2998	19.67
2	A'	3113	2995	21.65
3	A'	3040	2924	16.13
4	A'	2389	2298	98.51
5	A'	1550	1491	5.23
6	A'	1547	1488	16.41
7	A'	1401	1348	3.09
8	A'	1059	1019	41.05
9	A'	1012	973	41.22
10	A'	751	722	0.87
11	A'	657	632	1.83
12	A'	260	250	0.11
13	A'	196	188	0.23
14	A"	3117	2999	5.97
15	A"	3113	2995	0.66
16	A"	3041	2926	17.21
17	A"	1539	1481	14.12
18	A"	1536	1477	0.40
19	A"	1386	1333	5.87
20	A"	1070	1029	28.94
21	A"	874	841	2.24
22	A"	766	737	0.06
23	A"	704	677	14.70
24	A"	189	182	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.672	0.000
H2	1.365	-0.909	0.000
C3	-0.039	0.532	1.427
C4	-0.039	0.532	-1.427
H5	-1.036	0.977	1.524
H6	-1.036	0.977	-1.524
H7	0.178	-0.007	2.357
H8	0.178	-0.007	-2.357
H9	0.695	1.336	1.304
H10	0.695	1.336	-1.304

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4236	1.8672	1.8672	2.4566	2.4566	2.4585	2.4585	2.5043	2.5043
H2	1.4236		2.4662	2.4662	3.4119	3.4119	2.7888	2.7888	2.6811	2.6811
C3	1.8672	2.4662		2.8547	1.0962	3.1468	1.0960	3.8285	1.0956	2.9405
C4	1.8672	2.4662	2.8547		3.1468	1.0962	3.8285	1.0960	2.9405	1.0956
H5	2.4566	3.4119	1.0962	3.1468		3.0479	1.7704	4.1835	1.7812	3.3351
H6	2.4566	3.4119	3.1468	1.0962	3.0479		4.1835	1.7704	3.3351	1.7812
H7	2.4585	2.7888	1.0960	3.8285	1.7704	4.1835		4.7138	1.7831	3.9338
H8	2.4585	2.7888	3.8285	1.0960	4.1835	1.7704	4.7138		3.9338	1.7831
H9	2.5043	2.6811	1.0956	2.9405	1.7812	3.3351	1.7831	3.9338		2.6084
H10	2.5043	2.6811	2.9405	1.0956	3.3351	1.7812	3.9338	1.7831	2.6084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.213	P1	C3	H7	109.357
P1	C3	H9	112.793	P1	C4	H6	109.213
P1	C4	H8	109.357	P1	C4	H10	112.793
H2	P1	C3	96.146	H2	P1	C4	96.146
C3	P1	C4	99.716	H5	C3	H7	107.726
H5	C3	H9	108.717	H6	C4	H8	107.726
H6	C4	H10	108.717	H7	C3	H9	108.907
H8	C4	H10	108.907

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B3LYP/3-21G*

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	0.352
2	H	0.015
3	C	-0.788
4	C	-0.788
5	H	0.201
6	H	0.201
7	H	0.205
8	H	0.205
9	H	0.199
10	H	0.199

	x	y	z	Total
	0.446	1.245	0.000	1.322
CHELPG
AIM
ESP

	x	y	z
x	5.486	-0.388	0.000
y	-0.388	5.716	0.000
z	0.000	0.000	6.880

<r²>	82.846
(<r²>)^1/2	9.102

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)