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	hartrees
Energy at 0K	-421.530994
Energy at 298.15K	-421.524789
HF Energy	-421.777228
Nuclear repulsion energy	112.265514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3134	3010	16.37
2	A'	3129	3005	31.26
3	A'	3050	2929	18.56
4	A'	2370	2276	128.80
5	A'	1511	1451	2.49
6	A'	1509	1449	12.23
7	A'	1367	1313	0.57
8	A'	1030	990	36.71
9	A'	984	945	36.41
10	A'	725	696	1.48
11	A'	650	624	1.67
12	A'	252	242	0.12
13	A'	191	183	0.20
14	A"	3135	3010	7.83
15	A"	3130	3006	0.13
16	A"	3052	2930	18.56
17	A"	1502	1443	9.44
18	A"	1497	1438	1.83
19	A"	1350	1297	0.75
20	A"	1042	1000	30.81
21	A"	845	811	0.80
22	A"	734	705	0.43
23	A"	699	672	13.32
24	A"	182	175	0.03

Atom	x (Å)	y (Å)	z (Å)
P1	-0.038	-0.669	0.000
H2	1.364	-0.935	0.000
C3	-0.038	0.531	1.436
C4	-0.038	0.531	-1.436
H5	-1.034	0.978	1.529
H6	-1.034	0.978	-1.529
H7	0.167	-0.014	2.363
H8	0.167	-0.014	-2.363
H9	0.698	1.335	1.329
H10	0.698	1.335	-1.329

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4271	1.8706	1.8706	2.4575	2.4575	2.4604	2.4604	2.5142	2.5142
H2	1.4271		2.4851	2.4851	3.4272	3.4272	2.8045	2.8045	2.7136	2.7136
C3	1.8706	2.4851		2.8712	1.0953	3.1592	1.0950	3.8429	1.0952	2.9717
C4	1.8706	2.4851	2.8712		3.1592	1.0953	3.8429	1.0950	2.9717	1.0952
H5	2.4575	3.4272	1.0953	3.1592		3.0583	1.7663	4.1921	1.7793	3.3607
H6	2.4575	3.4272	3.1592	1.0953	3.0583		4.1921	1.7663	3.3607	1.7793
H7	2.4604	2.8045	1.0950	3.8429	1.7663	4.1921		4.7260	1.7809	3.9665
H8	2.4604	2.8045	3.8429	1.0950	4.1921	1.7663	4.7260		3.9665	1.7809
H9	2.5142	2.7136	1.0952	2.9717	1.7793	3.3607	1.7809	3.9665		2.6579
H10	2.5142	2.7136	2.9717	1.0952	3.3607	1.7793	3.9665	1.7809	2.6579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.997	P1	C3	H7	109.413
P1	C3	H9	113.460	P1	C4	H6	108.997
P1	C4	H8	109.413	P1	C4	H10	113.460
H2	P1	C3	96.828	H2	P1	C4	96.828
C3	P1	C4	100.303	H5	C3	H7	107.481
H5	C3	H9	108.560	H6	C4	H8	107.481
H6	C4	H10	108.560	H7	C3	H9	108.757
H8	C4	H10	108.757

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: G3B3

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	0.239
2	H	-0.012
3	C	-0.618
4	C	-0.618
5	H	0.168
6	H	0.168
7	H	0.171
8	H	0.171
9	H	0.165
10	H	0.165

	x	y	z	Total
	0.475	1.309	0.000	1.392
CHELPG
AIM
ESP

<r²>	83.243
(<r²>)^1/2	9.124

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: G3B3

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)