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	hartrees
Energy at 0K	-421.022748
Energy at 298.15K	-421.030508
HF Energy	-420.548147
Nuclear repulsion energy	112.085344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3027	15.48
2	A'	3150	3022	25.85
3	A'	3056	2932	17.22
4	A'	2407	2309	99.52
5	A'	1478	1418	7.35
6	A'	1477	1417	3.89
7	A'	1335	1281	0.44
8	A'	1020	979	25.09
9	A'	968	928	22.76
10	A'	727	698	1.32
11	A'	668	641	2.32
12	A'	260	250	0.26
13	A'	193	185	0.06
14	A"	3155	3027	8.00
15	A"	3150	3022	0.35
16	A"	3057	2933	21.33
17	A"	1470	1411	4.94
18	A"	1464	1405	2.91
19	A"	1318	1264	0.00
20	A"	1032	991	25.55
21	A"	835	801	0.81
22	A"	728	699	5.39
23	A"	710	681	10.28
24	A"	182	175	0.02

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.678	0.000
H2	1.369	-0.937	0.000
C3	-0.038	0.536	1.425
C4	-0.038	0.536	-1.425
H5	-1.038	1.001	1.499
H6	-1.038	1.001	-1.499
H7	0.153	-0.002	2.371
H8	0.153	-0.002	-2.371
H9	0.716	1.335	1.308
H10	0.716	1.335	-1.308

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4304	1.8726	1.8726	2.4633	2.4633	2.4724	2.4724	2.5163	2.5163
H2	1.4304		2.4862	2.4862	3.4347	3.4347	2.8233	2.8233	2.7013	2.7013
C3	1.8726	2.4862		2.8509	1.1053	3.1258	1.1046	3.8388	1.1047	2.9460
C4	1.8726	2.4862	2.8509		3.1258	1.1053	3.8388	1.1046	2.9460	1.1047
H5	2.4633	3.4347	1.1053	3.1258		2.9988	1.7846	4.1717	1.7963	3.3275
H6	2.4633	3.4347	3.1258	1.1053	2.9988		4.1717	1.7846	3.3275	1.7963
H7	2.4724	2.8233	1.1046	3.8388	1.7846	4.1717		4.7412	1.7984	3.9546
H8	2.4724	2.8233	3.8388	1.1046	4.1717	1.7846	4.7412		3.9546	1.7984
H9	2.5163	2.7013	1.1047	2.9460	1.7963	3.3275	1.7984	3.9546		2.6163
H10	2.5163	2.7013	2.9460	1.1047	3.3275	1.7963	3.9546	1.7984	2.6163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.880	P1	C3	H7	109.574
P1	C3	H9	112.821	P1	C4	H6	108.880
P1	C4	H8	109.574	P1	C4	H10	112.821
H2	P1	C3	96.739	H2	P1	C4	96.739
C3	P1	C4	99.142	H5	C3	H7	107.718
H5	C3	H9	108.737	H6	C4	H8	107.718
H6	C4	H10	108.737	H7	C3	H9	108.980
H8	C4	H10	108.980

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)