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	hartrees
Energy at 0K	-421.702568
Energy at 298.15K	-421.710151
HF Energy	-421.702568
Nuclear repulsion energy	111.227039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3046	3030	18.02
2	A'	3041	3025	32.67
3	A'	2963	2947	25.91
4	A'	2266	2254	125.34
5	A'	1448	1440	2.55
6	A'	1447	1439	17.15
7	A'	1303	1296	0.63
8	A'	988	983	29.39
9	A'	941	936	31.61
10	A'	700	696	1.50
11	A'	611	608	3.03
12	A'	242	241	0.29
13	A'	184	183	0.17
14	A"	3047	3030	7.91
15	A"	3042	3026	0.68
16	A"	2964	2948	27.45
17	A"	1440	1432	10.71
18	A"	1435	1427	2.48
19	A"	1285	1279	0.68
20	A"	997	992	27.17
21	A"	810	806	0.29
22	A"	708	704	0.07
23	A"	658	655	17.14
24	A"	173	172	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.675	0.000
H2	1.377	-0.933	0.000
C3	-0.038	0.536	1.452
C4	-0.038	0.536	-1.452
H5	-1.041	0.983	1.545
H6	-1.041	0.983	-1.545
H7	0.168	-0.016	2.382
H8	0.168	-0.016	-2.382
H9	0.702	1.346	1.347
H10	0.702	1.346	-1.347

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4389	1.8908	1.8908	2.4784	2.4784	2.4805	2.4805	2.5391	2.5391
H2	1.4389		2.5042	2.5042	3.4508	3.4508	2.8249	2.8249	2.7324	2.7324
C3	1.8908	2.5042		2.9034	1.1018	3.1918	1.1016	3.8791	1.1020	3.0057
C4	1.8908	2.5042	2.9034		3.1918	1.1018	3.8791	1.1016	3.0057	1.1020
H5	2.4784	3.4508	1.1018	3.1918		3.0907	1.7775	4.2292	1.7915	3.3962
H6	2.4784	3.4508	3.1918	1.1018	3.0907		4.2292	1.7775	3.3962	1.7915
H7	2.4805	2.8249	1.1016	3.8791	1.7775	4.2292		4.7647	1.7925	4.0058
H8	2.4805	2.8249	3.8791	1.1016	4.2292	1.7775	4.7647		4.0058	1.7925
H9	2.5391	2.7324	1.1020	3.0057	1.7915	3.3962	1.7925	4.0058		2.6933
H10	2.5391	2.7324	3.0057	1.1020	3.3962	1.7915	4.0058	1.7925	2.6933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.950	P1	C3	H7	109.111
P1	C3	H9	113.435	P1	C4	H6	108.950
P1	C4	H8	109.111	P1	C4	H10	113.435
H2	P1	C3	96.600	H2	P1	C4	96.600
C3	P1	C4	100.307	H5	C3	H7	107.546
H5	C3	H9	108.767	H6	C4	H8	107.546
H6	C4	H10	108.767	H7	C3	H9	108.867
H8	C4	H10	108.867

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: BLYP/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	0.289
2	H	-0.029
3	C	-0.633
4	C	-0.633
5	H	0.168
6	H	0.168
7	H	0.169
8	H	0.169
9	H	0.166
10	H	0.166

	x	y	z	Total
	0.467	1.212	0.000	1.299
CHELPG
AIM
ESP

	x	y	z
x	6.853	-0.176	0.000
y	-0.176	7.719	0.000
z	0.000	0.000	8.842

<r²>	85.202
(<r²>)^1/2	9.230

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

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

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)