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	hartrees
Energy at 0K	-421.078269
Energy at 298.15K	-421.085957
HF Energy	-420.552626
Nuclear repulsion energy	111.934646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3119	3026
2	A'	3110	3017
3	A'	3019	2929
4	A'	2368	2297
5	A'	1458	1415
6	A'	1454	1410
7	A'	1309	1270
8	A'	998	968
9	A'	952	924
10	A'	713	692
11	A'	652	633
12	A'	253	245
13	A'	190	184
14	A"	3119	3026
15	A"	3111	3018
16	A"	3021	2931
17	A"	1447	1403
18	A"	1443	1400
19	A"	1292	1254
20	A"	1013	983
21	A"	820	796
22	A"	714	693
23	A"	694	673
24	A"	171	165

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.683	0.000
H2	1.372	-0.945	0.000
C3	-0.038	0.541	1.425
C4	-0.038	0.541	-1.425
H5	-1.036	1.010	1.484
H6	-1.036	1.010	-1.484
H7	0.142	0.008	2.374
H8	0.142	0.008	-2.374
H9	0.723	1.331	1.302
H10	0.723	1.331	-1.302

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4347	1.8778	1.8778	2.4625	2.4625	2.4793	2.4793	2.5159	2.5159
H2	1.4347		2.4951	2.4951	3.4388	3.4388	2.8386	2.8386	2.7014	2.7014
C3	1.8778	2.4951		2.8494	1.1047	3.1106	1.1038	3.8405	1.1041	2.9393
C4	1.8778	2.4951	2.8494		3.1106	1.1047	3.8405	1.1038	2.9393	1.1041
H5	2.4625	3.4388	1.1047	3.1106		2.9674	1.7854	4.1568	1.7972	3.3102
H6	2.4625	3.4388	3.1106	1.1047	2.9674		4.1568	1.7854	3.3102	1.7972
H7	2.4793	2.8386	1.1038	3.8405	1.7854	4.1568		4.7487	1.7994	3.9502
H8	2.4793	2.8386	3.8405	1.1038	4.1568	1.7854	4.7487		3.9502	1.7994
H9	2.5159	2.7014	1.1041	2.9393	1.7972	3.3102	1.7994	3.9502		2.6042
H10	2.5159	2.7014	2.9393	1.1041	3.3102	1.7972	3.9502	1.7994	2.6042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.514	P1	C3	H7	109.775
P1	C3	H9	112.469	P1	C4	H6	108.514
P1	C4	H8	109.775	P1	C4	H10	112.469
H2	P1	C3	96.836	H2	P1	C4	96.836
C3	P1	C4	98.703	H5	C3	H7	107.889
H5	C3	H9	108.910	H6	C4	H8	107.889
H6	C4	H10	108.910	H7	C3	H9	109.172
H8	C4	H10	109.172

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: QCISD(T)=FULL/aug-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(T)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)