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	hartrees
Energy at 0K	-418.321833
Energy at 298.15K	-418.329613
HF Energy	-418.321833
Nuclear repulsion energy	113.364402

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	3017	5.57
2	A'	3064	3009	12.51
3	A'	2973	2920	12.75
4	A'	2319	2277	74.16
5	A'	1484	1457	8.82
6	A'	1477	1450	25.09
7	A'	1336	1312	9.90
8	A'	1023	1004	42.99
9	A'	976	959	48.18
10	A'	738	725	0.43
11	A'	676	663	1.01
12	A'	254	249	0.10
13	A'	199	196	0.41
14	A"	3073	3017	1.81
15	A"	3066	3011	0.00
16	A"	2977	2924	7.37
17	A"	1470	1443	22.24
18	A"	1464	1438	0.15
19	A"	1319	1295	19.30
20	A"	1029	1010	24.42
21	A"	836	821	3.81
22	A"	746	733	7.19
23	A"	715	702	8.28
24	A"	196	192	0.08

Atom	x (Å)	y (Å)	z (Å)
P1	-0.039	-0.674	0.000
H2	1.381	-0.892	0.000
C3	-0.039	0.530	1.397
C4	-0.039	0.530	-1.397
H5	-1.048	0.970	1.492
H6	-1.048	0.970	-1.492
H7	0.187	0.006	2.342
H8	0.187	0.006	-2.342
H9	0.691	1.347	1.254
H10	0.691	1.347	-1.254

	P1	H2	C3	C4	H5	H6	H7	H8	H9	H10
P1		1.4359	1.8443	1.8443	2.4391	2.4391	2.4493	2.4493	2.4883	2.4883
H2	1.4359		2.4471	2.4471	3.4047	3.4047	2.7777	2.7777	2.6577	2.6577
C3	1.8443	2.4471		2.7935	1.1051	3.0916	1.1045	3.7823	1.1049	2.8682
C4	1.8443	2.4471	2.7935		3.0916	1.1051	3.7823	1.1045	2.8682	1.1049
H5	2.4391	3.4047	1.1051	3.0916		2.9842	1.7829	4.1422	1.7951	3.2720
H6	2.4391	3.4047	3.0916	1.1051	2.9842		4.1422	1.7829	3.2720	1.7951
H7	2.4493	2.7777	1.1045	3.7823	1.7829	4.1422		4.6843	1.7996	3.8712
H8	2.4493	2.7777	3.7823	1.1045	4.1422	1.7829	4.6843		3.8712	1.7996
H9	2.4883	2.6577	1.1049	2.8682	1.7951	3.2720	1.7996	3.8712		2.5078
H10	2.4883	2.6577	2.8682	1.1049	3.2720	1.7951	3.8712	1.7996	2.5078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
P1	C3	H5	108.993	P1	C3	H7	109.762
P1	C3	H9	112.649	P1	C4	H6	108.993
P1	C4	H8	109.762	P1	C4	H10	112.649
H2	P1	C3	95.688	H2	P1	C4	95.688
C3	P1	C4	98.461	H5	C3	H7	107.587
H5	C3	H9	108.639	H6	C4	H8	107.587
H6	C4	H10	108.639	H7	C3	H9	109.076
H8	C4	H10	109.076

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)

using model chemistry: LSDA/3-21G*

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	0.265
2	H	0.059
3	C	-0.848
4	C	-0.848
5	H	0.229
6	H	0.229
7	H	0.234
8	H	0.234
9	H	0.223
10	H	0.223

	x	y	z	Total
	0.487	1.422	0.000	1.503
CHELPG
AIM
ESP

	x	y	z
x	5.613	-0.350	0.000
y	-0.350	5.819	0.000
z	0.000	0.000	6.881

<r²>	81.206
(<r²>)^1/2	9.011

All results from a given calculation for CH3PHCH3 (dimethylphosphine)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for CH₃PHCH₃ (dimethylphosphine)