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	hartrees
Energy at 0K	-421.063412
Energy at 298.15K	-421.071124
HF Energy	-420.576602
Nuclear repulsion energy	112.679624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3017	18.08
2	A'	3157	3013	31.13
3	A'	3070	2930	19.34
4	A'	2415	2305	103.04
5	A'	1496	1428	4.16
6	A'	1488	1420	9.21
7	A'	1375	1313	0.69
8	A'	1036	988	26.96
9	A'	983	938	25.48
10	A'	736	703	3.00
11	A'	675	644	2.78
12	A'	261	250	0.52
13	A'	185	177	0.05
14	A"	3161	3017	9.81
15	A"	3157	3013	0.16
16	A"	3071	2931	21.70
17	A"	1486	1419	5.47
18	A"	1475	1407	3.33
19	A"	1357	1295	0.58
20	A"	1046	998	27.59
21	A"	849	810	0.08
22	A"	735	701	2.96
23	A"	717	684	12.10
24	A"	138	131	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.674	0.000
H2	1.358	-0.934	0.000
C3	-0.038	0.534	1.424
C4	-0.038	0.534	-1.424
H5	-1.028	0.985	1.508
H6	-1.028	0.985	-1.508
H7	0.165	0.002	2.354
H8	0.165	0.002	-2.354
H9	0.701	1.327	1.301
H10	0.701	1.327	-1.301

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4205	1.8672	1.8672	2.4507	2.4507	2.4571	2.4571	2.4983	2.4983
H2	1.4205		2.4767	2.4767	3.4137	3.4137	2.8000	2.8000	2.6903	2.6903
C3	1.8672	2.4767		2.8475	1.0911	3.1268	1.0907	3.8202	1.0907	2.9325
C4	1.8672	2.4767	2.8475		3.1268	1.0911	3.8202	1.0907	2.9325	1.0907
H5	2.4507	3.4137	1.0911	3.1268		3.0155	1.7625	4.1595	1.7748	3.3162
H6	2.4507	3.4137	3.1268	1.0911	3.0155		4.1595	1.7625	3.3162	1.7748
H7	2.4571	2.8000	1.0907	3.8202	1.7625	4.1595		4.7073	1.7750	3.9243
H8	2.4571	2.8000	3.8202	1.0907	4.1595	1.7625	4.7073		3.9243	1.7750
H9	2.4983	2.6903	1.0907	2.9325	1.7748	3.3162	1.7750	3.9243		2.6023
H10	2.4983	2.6903	2.9325	1.0907	3.3162	1.7748	3.9243	1.7750	2.6023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.031	P1	C3	H7	109.524
P1	C3	H9	112.603	P1	C4	H6	109.031
P1	C4	H8	109.524	P1	C4	H10	112.603
H2	P1	C3	96.818	H2	P1	C4	96.818
C3	P1	C4	99.370	H5	C3	H7	107.769
H5	C3	H9	108.871	H6	C4	H8	107.769
H6	C4	H10	108.871	H7	C3	H9	108.924
H8	C4	H10	108.924

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)