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	hartrees
Energy at 0K	-421.138532
Energy at 298.15K	-421.132442
HF Energy	-420.525737
Nuclear repulsion energy	113.032718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3272	26.56
2	A'	3268	3268	36.00
3	A'	3187	3187	20.07
4	A'	2564	2564	156.11
5	A'	1615	1615	12.93
6	A'	1614	1614	1.37
7	A'	1483	1483	0.88
8	A'	1110	1110	40.99
9	A'	1061	1061	32.74
10	A'	774	774	4.23
11	A'	709	709	2.23
12	A'	277	277	0.37
13	A'	210	210	0.06
14	A"	3271	3271	11.34
15	A"	3267	3267	0.90
16	A"	3187	3187	26.63
17	A"	1607	1607	6.27
18	A"	1601	1601	3.21
19	A"	1466	1466	0.97
20	A"	1132	1132	37.96
21	A"	913	913	0.26
22	A"	788	788	0.07
23	A"	761	761	14.68
24	A"	200	200	0.01

Atom	x (Å)	y (Å)	z (Å)
P1	-0.037	-0.659	0.000
H2	1.334	-0.967	0.000
C3	-0.037	0.525	1.431
C4	-0.037	0.525	-1.431
H5	-1.016	0.993	1.511
H6	-1.016	0.993	-1.511
H7	0.142	-0.020	2.355
H8	0.142	-0.020	-2.355
H9	0.713	1.306	1.335
H10	0.713	1.306	-1.335

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4057	1.8574	1.8574	2.4439	2.4439	2.4472	2.4472	2.4922	2.4922
H2	1.4057		2.4809	2.4809	3.4134	3.4134	2.8047	2.8047	2.7089	2.7089
C3	1.8574	2.4809		2.8619	1.0882	3.1360	1.0877	3.8294	1.0876	2.9710
C4	1.8574	2.4809	2.8619		3.1360	1.0882	3.8294	1.0877	2.9710	1.0876
H5	2.4439	3.4134	1.0882	3.1360		3.0225	1.7550	4.1615	1.7663	3.3456
H6	2.4439	3.4134	3.1360	1.0882	3.0225		4.1615	1.7550	3.3456	1.7663
H7	2.4472	2.8047	1.0877	3.8294	1.7550	4.1615		4.7106	1.7677	3.9632
H8	2.4472	2.8047	3.8294	1.0877	4.1615	1.7550	4.7106		3.9632	1.7677
H9	2.4922	2.7089	1.0876	2.9710	1.7663	3.3456	1.7677	3.9632		2.6710
H10	2.4922	2.7089	2.9710	1.0876	3.3456	1.7663	3.9632	1.7677	2.6710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.337	P1	C3	H7	109.600
P1	C3	H9	112.988	P1	C4	H6	109.337
P1	C4	H8	109.600	P1	C4	H10	112.988
H2	P1	C3	98.022	H2	P1	C4	98.022
C3	P1	C4	100.781	H5	C3	H7	107.522
H5	C3	H9	108.540	H6	C4	H8	107.522
H6	C4	H10	108.540	H7	C3	H9	108.703
H8	C4	H10	108.703

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)