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	hartrees
Energy at 0K	-421.027650
Energy at 298.15K	-421.035430
HF Energy	-420.548525
Nuclear repulsion energy	112.376626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3001	12.20
2	A'	3186	2995	23.23
3	A'	3089	2904	16.23
4	A'	2448	2302	97.26
5	A'	1484	1395	7.29
6	A'	1482	1394	5.25
7	A'	1338	1258	0.69
8	A'	1024	963	26.11
9	A'	970	912	24.01
10	A'	731	687	1.24
11	A'	676	636	2.24
12	A'	261	246	0.25
13	A'	194	183	0.08
14	A"	3192	3001	6.47
15	A"	3187	2997	0.07
16	A"	3091	2906	18.04
17	A"	1476	1388	5.59
18	A"	1469	1382	2.96
19	A"	1321	1242	0.14
20	A"	1039	977	26.26
21	A"	836	786	0.87
22	A"	736	692	8.55
23	A"	714	672	7.87
24	A"	184	173	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.675	0.000
H2	1.364	-0.936	0.000
C3	-0.038	0.534	1.423
C4	-0.038	0.534	-1.423
H5	-1.037	0.994	1.500
H6	-1.037	0.994	-1.500
H7	0.155	-0.005	2.364
H8	0.155	-0.005	-2.364
H9	0.712	1.334	1.307
H10	0.712	1.334	-1.307

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4259	1.8674	1.8674	2.4557	2.4557	2.4647	2.4647	2.5107	2.5107
H2	1.4259		2.4804	2.4804	3.4259	3.4259	2.8135	2.8135	2.6991	2.6991
C3	1.8674	2.4804		2.8467	1.1023	3.1229	1.1016	3.8306	1.1019	2.9423
C4	1.8674	2.4804	2.8467		3.1229	1.1023	3.8306	1.1016	2.9423	1.1019
H5	2.4557	3.4259	1.1023	3.1229		2.9992	1.7796	4.1651	1.7917	3.3244
H6	2.4557	3.4259	3.1229	1.1023	2.9992		4.1651	1.7796	3.3244	1.7917
H7	2.4647	2.8135	1.1016	3.8306	1.7796	4.1651		4.7283	1.7941	3.9473
H8	2.4647	2.8135	3.8306	1.1016	4.1651	1.7796	4.7283		3.9473	1.7941
H9	2.5107	2.6991	1.1019	2.9423	1.7917	3.3244	1.7941	3.9473		2.6145
H10	2.5107	2.6991	2.9423	1.1019	3.3244	1.7917	3.9473	1.7941	2.6145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.819	P1	C3	H7	109.505
P1	C3	H9	112.910	P1	C4	H6	108.819
P1	C4	H8	109.505	P1	C4	H10	112.910
H2	P1	C3	96.816	H2	P1	C4	96.816
C3	P1	C4	99.315	H5	C3	H7	107.700
H5	C3	H9	108.752	H6	C4	H8	107.700
H6	C4	H10	108.752	H7	C3	H9	109.020
H8	C4	H10	109.020

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: MP3=FULL/cc-pVDZ

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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All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)