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	hartrees
Energy at 0K	-382.473661
Energy at 298.15K	-382.479255
HF Energy	-382.473661
Nuclear repulsion energy	60.079545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3026	6.93
2	A'	3070	2937	12.87
3	A'	2396	2292	59.17
4	A'	1479	1415	5.45
5	A'	1334	1276	0.38
6	A'	1128	1079	15.81
7	A'	997	953	35.68
8	A'	743	711	0.68
9	A'	691	661	8.90
10	A"	3149	3012	6.85
11	A"	2402	2298	73.81
12	A"	1477	1413	6.34
13	A"	1038	993	18.66
14	A"	696	666	0.84
15	A"	221	212	1.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.184	0.000
P2	0.070	-0.671	0.000
H3	-0.928	1.616	0.000
H4	0.608	1.533	0.880
H5	0.608	1.533	-0.880
H6	-0.881	-0.861	-1.033
H7	-0.881	-0.861	1.033

	C1	P2	H3	H4	H5	H6	H7
C1		1.8549	1.0874	1.0888	1.0888	2.4810	2.4810
P2	1.8549		2.4954	2.4335	2.4335	1.4172	1.4172
H3	1.0874	2.4954		1.7719	1.7719	2.6847	2.6847
H4	1.0888	2.4335	1.7719		1.7596	3.4075	2.8241
H5	1.0888	2.4335	1.7719	1.7596		2.8241	3.4075
H6	2.4810	1.4172	2.6847	3.4075	2.8241		2.0660
H7	2.4810	1.4172	2.6847	2.8241	3.4075	2.0660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.716	C1	P2	H7	97.716
P2	C1	H3	113.431	P2	C1	H4	108.709
P2	C1	H5	108.709	H3	C1	H4	109.019
H3	C1	H5	109.019	H4	C1	H5	107.807
H6	P2	H7	93.585

All results from a given calculation for CH₃PH₂ (Methyl phosphine)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	C	-0.820
2	P	-0.282
3	H	0.274
4	H	0.278
5	H	0.278
6	H	0.136
7	H	0.136

	x	y	z	Total
	-0.614	1.081	0.000	1.243
CHELPG
AIM
ESP

	x	y	z
x	5.992	0.126	0.000
y	0.126	7.117	0.000
z	0.000	0.000	5.852

<r²>	44.715
(<r²>)^1/2	6.687

All results from a given calculation for CH3PH2 (Methyl phosphine)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃PH₂ (Methyl phosphine)