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	hartrees
Energy at 0K	-421.503205
Energy at 298.15K	-421.510986
HF Energy	-421.374612
Nuclear repulsion energy	112.739894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3008	14.42
2	A'	3166	3003	28.41
3	A'	3082	2923	16.80
4	A'	2424	2299	123.46
5	A'	1531	1452	1.59
6	A'	1529	1450	13.69
7	A'	1393	1321	0.87
8	A'	1047	993	36.72
9	A'	1002	950	35.96
10	A'	736	698	2.07
11	A'	671	636	1.73
12	A'	258	245	0.18
13	A'	194	184	0.16
14	A"	3172	3008	6.94
15	A"	3167	3004	0.22
16	A"	3084	2925	16.55
17	A"	1522	1443	9.01
18	A"	1516	1438	2.31
19	A"	1376	1305	1.26
20	A"	1056	1002	31.11
21	A"	862	818	0.80
22	A"	743	704	1.05
23	A"	720	683	12.70
24	A"	185	176	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.667	0.000
H2	1.356	-0.943	0.000
C3	-0.038	0.529	1.427
C4	-0.038	0.529	-1.427
H5	-1.030	0.981	1.515
H6	-1.030	0.981	-1.515
H7	0.162	-0.010	2.356
H8	0.162	-0.010	-2.356
H9	0.700	1.328	1.318
H10	0.700	1.328	-1.318

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4213	1.8620	1.8620	2.4481	2.4481	2.4536	2.4536	2.5027	2.5027
H2	1.4213		2.4793	2.4793	3.4187	3.4187	2.8009	2.8009	2.7066	2.7066
C3	1.8620	2.4793		2.8532	1.0931	3.1366	1.0928	3.8257	1.0930	2.9522
C4	1.8620	2.4793	2.8532		3.1366	1.0931	3.8257	1.0928	2.9522	1.0930
H5	2.4481	3.4187	1.0931	3.1366		3.0295	1.7632	4.1691	1.7753	3.3373
H6	2.4481	3.4187	3.1366	1.0931	3.0295		4.1691	1.7632	3.3373	1.7753
H7	2.4536	2.8009	1.0928	3.8257	1.7632	4.1691		4.7112	1.7770	3.9467
H8	2.4536	2.8009	3.8257	1.0928	4.1691	1.7632	4.7112		3.9467	1.7770
H9	2.5027	2.7066	1.0930	2.9522	1.7753	3.3373	1.7770	3.9467		2.6360
H10	2.5027	2.7066	2.9522	1.0930	3.3373	1.7753	3.9467	1.7770	2.6360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.093	P1	C3	H7	109.510
P1	C3	H9	113.175	P1	C4	H6	109.093
P1	C4	H8	109.510	P1	C4	H10	113.175
H2	P1	C3	97.164	H2	P1	C4	97.164
C3	P1	C4	100.021	H5	C3	H7	107.538
H5	C3	H9	108.599	H6	C4	H8	107.538
H6	C4	H10	108.599	H7	C3	H9	108.771
H8	C4	H10	108.771

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: B2PLYP=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)