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	hartrees
Energy at 0K	-419.295056
Energy at 298.15K	-419.302789
HF Energy	-419.211707
Nuclear repulsion energy	110.585384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3176	10.89
2	A'	3173	3173	19.64
3	A'	3087	3087	15.53
4	A'	2229	2229	112.06
5	A'	1569	1569	8.13
6	A'	1564	1564	14.86
7	A'	1410	1410	1.06
8	A'	1057	1057	31.33
9	A'	1015	1015	40.81
10	A'	739	739	3.59
11	A'	623	623	0.70
12	A'	249	249	0.20
13	A'	181	181	0.10
14	A"	3176	3176	3.55
15	A"	3173	3173	2.33
16	A"	3089	3089	15.57
17	A"	1557	1557	14.89
18	A"	1554	1554	0.03
19	A"	1391	1391	1.11
20	A"	1058	1058	25.71
21	A"	891	891	1.11
22	A"	761	761	0.31
23	A"	670	670	6.99
24	A"	174	174	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.040	-0.697	0.000
H2	1.386	-0.935	0.000
C3	-0.040	0.555	1.455
C4	-0.040	0.555	-1.455
H5	-1.037	0.992	1.534
H6	-1.037	0.992	-1.534
H7	0.183	0.020	2.380
H8	0.183	0.020	-2.380
H9	0.695	1.349	1.304
H10	0.695	1.349	-1.304

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4456	1.9193	1.9193	2.4901	2.4901	2.4957	2.4957	2.5342	2.5342
H2	1.4456		2.5240	2.5240	3.4553	3.4553	2.8329	2.8329	2.7190	2.7190
C3	1.9193	2.5240		2.9099	1.0915	3.1815	1.0916	3.8786	1.0919	2.9631
C4	1.9193	2.5240	2.9099		3.1815	1.0915	3.8786	1.0916	2.9631	1.0919
H5	2.4901	3.4553	1.0915	3.1815		3.0689	1.7742	4.2138	1.7830	3.3439
H6	2.4901	3.4553	3.1815	1.0915	3.0689		4.2138	1.7742	3.3439	1.7830
H7	2.4957	2.8329	1.0916	3.8786	1.7742	4.2138		4.7603	1.7846	3.9494
H8	2.4957	2.8329	3.8786	1.0916	4.2138	1.7742	4.7603		3.9494	1.7846
H9	2.5342	2.7190	1.0919	2.9631	1.7830	3.3439	1.7846	3.9494		2.6076
H10	2.5342	2.7190	2.9631	1.0919	3.3439	1.7830	3.9494	1.7846	2.6076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.442	P1	C3	H7	108.843
P1	C3	H9	111.650	P1	C4	H6	108.442
P1	C4	H8	108.843	P1	C4	H10	111.650
H2	P1	C3	96.181	H2	P1	C4	96.181
C3	P1	C4	98.592	H5	C3	H7	108.715
H5	C3	H9	109.496	H6	C4	H8	108.715
H6	C4	H10	109.496	H7	C3	H9	109.639
H8	C4	H10	109.639

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP/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	0.493
2	H	-0.024
3	C	-0.861
4	C	-0.861
5	H	0.210
6	H	0.210
7	H	0.212
8	H	0.212
9	H	0.205
10	H	0.205

	x	y	z	Total
	0.556	1.264	0.000	1.381
CHELPG
AIM
ESP

	x	y	z
x	5.531	-0.485	0.000
y	-0.485	5.776	0.000
z	0.000	0.000	7.088

<r²>	85.615
(<r²>)^1/2	9.253

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: B2PLYP/3-21G

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)