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	hartrees
Energy at 0K	-421.641639
Energy at 298.15K	-421.649408
HF Energy	-421.442293
Nuclear repulsion energy	113.241693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3007	11.59
2	A'	3129	3002	21.35
3	A'	3054	2930	16.76
4	A'	2395	2297	85.68
5	A'	1493	1433	10.68
6	A'	1492	1431	2.97
7	A'	1339	1285	1.57
8	A'	1019	978	25.50
9	A'	972	932	24.48
10	A'	724	694	1.77
11	A'	665	638	3.06
12	A'	255	245	0.31
13	A'	194	186	0.10
14	A"	3135	3007	5.41
15	A"	3130	3003	0.11
16	A"	3057	2933	16.13
17	A"	1484	1424	5.49
18	A"	1479	1419	3.27
19	A"	1324	1270	1.15
20	A"	1038	996	24.56
21	A"	837	803	0.35
22	A"	732	702	2.53
23	A"	712	683	13.84
24	A"	183	175	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.664	0.000
H2	1.353	-0.937	0.000
C3	-0.038	0.528	1.421
C4	-0.038	0.528	-1.421
H5	-1.024	0.980	1.500
H6	-1.024	0.980	-1.500
H7	0.154	-0.014	2.345
H8	0.154	-0.014	-2.345
H9	0.704	1.316	1.310
H10	0.704	1.316	-1.310

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4172	1.8543	1.8543	2.4344	2.4344	2.4411	2.4411	2.4870	2.4870
H2	1.4172		2.4696	2.4696	3.4027	3.4027	2.7910	2.7910	2.6860	2.6860
C3	1.8543	2.4696		2.8419	1.0884	3.1161	1.0880	3.8095	1.0880	2.9374
C4	1.8543	2.4696	2.8419		3.1161	1.0884	3.8095	1.0880	2.9374	1.0880
H5	2.4344	3.4027	1.0884	3.1161		3.0000	1.7580	4.1426	1.7707	3.3157
H6	2.4344	3.4027	3.1161	1.0884	3.0000		4.1426	1.7580	3.3157	1.7707
H7	2.4411	2.7910	1.0880	3.8095	1.7580	4.1426		4.6901	1.7724	3.9278
H8	2.4411	2.7910	3.8095	1.0880	4.1426	1.7580	4.6901		3.9278	1.7724
H9	2.4870	2.6860	1.0880	2.9374	1.7707	3.3157	1.7724	3.9278		2.6196
H10	2.4870	2.6860	2.9374	1.0880	3.3157	1.7707	3.9278	1.7724	2.6196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.836	P1	C3	H7	109.348
P1	C3	H9	112.787	P1	C4	H6	108.836
P1	C4	H8	109.348	P1	C4	H10	112.787
H2	P1	C3	97.123	H2	P1	C4	97.123
C3	P1	C4	100.043	H5	C3	H7	107.761
H5	C3	H9	108.897	H6	C4	H8	107.761
H6	C4	H10	108.897	H7	C3	H9	109.087
H8	C4	H10	109.087

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)