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	hartrees
Energy at 0K	-421.766864
Energy at 298.15K	-421.774612
HF Energy	-421.766864
Nuclear repulsion energy	112.899902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3014	10.79
2	A'	3160	3008	22.55
3	A'	3068	2920	20.07
4	A'	2402	2287	111.57
5	A'	1486	1414	7.54
6	A'	1484	1413	16.93
7	A'	1348	1283	2.87
8	A'	1021	972	32.70
9	A'	977	930	35.96
10	A'	727	692	2.08
11	A'	670	637	2.13
12	A'	254	242	0.31
13	A'	193	183	0.23
14	A"	3167	3015	4.66
15	A"	3162	3010	0.14
16	A"	3070	2922	20.23
17	A"	1476	1405	11.40
18	A"	1471	1400	3.17
19	A"	1331	1267	5.22
20	A"	1036	986	27.67
21	A"	839	798	0.49
22	A"	738	702	5.48
23	A"	716	682	11.44
24	A"	180	172	0.04

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.663	0.000
H2	1.359	-0.935	0.000
C3	-0.038	0.527	1.426
C4	-0.038	0.527	-1.426
H5	-1.029	0.978	1.514
H6	-1.029	0.978	-1.514
H7	0.157	-0.019	2.353
H8	0.157	-0.019	-2.353
H9	0.703	1.324	1.324
H10	0.703	1.324	-1.324

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4226	1.8574	1.8574	2.4436	2.4436	2.4473	2.4473	2.5004	2.5004
H2	1.4226		2.4741	2.4741	3.4142	3.4142	2.7964	2.7964	2.6998	2.6998
C3	1.8574	2.4741		2.8524	1.0930	3.1360	1.0927	3.8232	1.0932	2.9580
C4	1.8574	2.4741	2.8524		3.1360	1.0930	3.8232	1.0927	2.9580	1.0932
H5	2.4436	3.4142	1.0930	3.1360		3.0288	1.7618	4.1661	1.7763	3.3432
H6	2.4436	3.4142	3.1360	1.0930	3.0288		4.1661	1.7618	3.3432	1.7763
H7	2.4473	2.7964	1.0927	3.8232	1.7618	4.1661		4.7057	1.7776	3.9526
H8	2.4473	2.7964	3.8232	1.0927	4.1661	1.7618	4.7057		3.9526	1.7776
H9	2.5004	2.6998	1.0932	2.9580	1.7763	3.3432	1.7776	3.9526		2.6485
H10	2.5004	2.6998	2.9580	1.0932	3.3432	1.7763	3.9526	1.7776	2.6485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	109.073	P1	C3	H7	109.351
P1	C3	H9	113.314	P1	C4	H6	109.073
P1	C4	H8	109.351	P1	C4	H10	113.314
H2	P1	C3	97.036	H2	P1	C4	97.036
C3	P1	C4	100.322	H5	C3	H7	107.423
H5	C3	H9	108.690	H6	C4	H8	107.423
H6	C4	H10	108.690	H7	C3	H9	108.823
H8	C4	H10	108.823

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: mPW1PW91/6-31+G**

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	0.246
2	H	-0.025
3	C	-0.679
4	C	-0.679
5	H	0.190
6	H	0.190
7	H	0.192
8	H	0.192
9	H	0.186
10	H	0.186

	x	y	z	Total
	0.525	1.327	0.000	1.428
CHELPG
AIM
ESP

	x	y	z
x	6.487	-0.205	0.000
y	-0.205	7.144	0.000
z	0.000	0.000	8.126

<r²>	82.726
(<r²>)^1/2	9.095

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)