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	hartrees
Energy at 0K	-420.560565
Energy at 298.15K	-420.568556
HF Energy	-420.560565
Nuclear repulsion energy	113.322255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	2945	30.08
2	A'	3253	2942	47.75
3	A'	3181	2877	27.99
4	A'	2510	2270	133.06
5	A'	1615	1460	13.69
6	A'	1612	1458	3.81
7	A'	1483	1342	1.16
8	A'	1112	1005	53.17
9	A'	1065	963	38.83
10	A'	776	702	5.16
11	A'	709	641	2.56
12	A'	279	252	0.63
13	A'	208	188	0.13
14	A"	3256	2945	16.68
15	A"	3252	2941	0.14
16	A"	3181	2877	33.31
17	A"	1604	1450	7.92
18	A"	1600	1447	2.66
19	A"	1466	1326	2.53
20	A"	1131	1023	41.40
21	A"	916	829	0.12
22	A"	787	711	0.02
23	A"	758	686	15.43
24	A"	197	179	0.00

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.658	0.000
H2	1.337	-0.965	0.000
C3	-0.038	0.524	1.427
C4	-0.038	0.524	-1.427
H5	-1.012	0.993	1.504
H6	-1.012	0.993	-1.504
H7	0.137	-0.019	2.348
H8	0.137	-0.019	-2.348
H9	0.713	1.300	1.334
H10	0.713	1.300	-1.334

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4088	1.8527	1.8527	2.4369	2.4369	2.4401	2.4401	2.4855	2.4855
H2	1.4088		2.4783	2.4783	3.4081	3.4081	2.8018	2.8018	2.7019	2.7019
C3	1.8527	2.4783		2.8535	1.0842	3.1242	1.0838	3.8180	1.0838	2.9642
C4	1.8527	2.4783	2.8535		3.1242	1.0842	3.8180	1.0838	2.9642	1.0838
H5	2.4369	3.4081	1.0842	3.1242		3.0087	1.7484	4.1458	1.7601	3.3352
H6	2.4369	3.4081	3.1242	1.0842	3.0087		4.1458	1.7484	3.3352	1.7601
H7	2.4401	2.8018	1.0838	3.8180	1.7484	4.1458		4.6968	1.7610	3.9535
H8	2.4401	2.8018	3.8180	1.0838	4.1458	1.7484	4.6968		3.9535	1.7610
H9	2.4855	2.7019	1.0838	2.9642	1.7601	3.3352	1.7610	3.9535		2.6676
H10	2.4855	2.7019	2.9642	1.0838	3.3352	1.7601	3.9535	1.7610	2.6676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.339	P1	C3	H7	109.601
P1	C3	H9	113.022	P1	C4	H6	109.339
P1	C4	H8	109.601	P1	C4	H10	113.022
H2	P1	C3	97.982	H2	P1	C4	97.982
C3	P1	C4	100.726	H5	C3	H7	107.506
H5	C3	H9	108.549	H6	C4	H8	107.506
H6	C4	H10	108.549	H7	C3	H9	108.670
H8	C4	H10	108.670

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: HF/6-311G*

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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Number	Element	Mulliken
1	P	0.357
2	H	0.004
3	C	-0.877
4	C	-0.877
5	H	0.232
6	H	0.232
7	H	0.237
8	H	0.237
9	H	0.228
10	H	0.228

	x	y	z	Total
	0.537	1.316	0.000	1.421
CHELPG
AIM
ESP

	x	y	z
x	6.158	-0.327	0.000
y	-0.327	6.482	0.000
z	0.000	0.000	7.410

<r²>	82.797
(<r²>)^1/2	9.099

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)