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	hartrees
Energy at 0K	-382.473323
Energy at 298.15K	-382.478867
HF Energy	-382.473323
Nuclear repulsion energy	59.590173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3082	3035	9.97
2	A'	2994	2948	17.18
3	A'	2318	2283	68.18
4	A'	1445	1423	4.36
5	A'	1293	1273	0.07
6	A'	1089	1072	14.09
7	A'	972	957	33.07
8	A'	726	715	0.24
9	A'	647	637	9.11
10	A"	3071	3024	10.06
11	A"	2326	2291	81.31
12	A"	1449	1427	5.01
13	A"	1013	998	14.57
14	A"	689	678	0.56
15	A"	222	219	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.198	0.000
P2	0.071	-0.679	0.000
H3	-0.931	1.631	0.000
H4	0.613	1.546	0.884
H5	0.613	1.546	-0.884
H6	-0.897	-0.862	-1.034
H7	-0.897	-0.862	1.034

	C1	P2	H3	H4	H5	H6	H7
C1		1.8765	1.0917	1.0936	1.0936	2.5002	2.5002
P2	1.8765		2.5180	2.4546	2.4546	1.4285	1.4285
H3	1.0917	2.5180		1.7808	1.7808	2.6997	2.6997
H4	1.0936	2.4546	1.7808		1.7675	3.4291	2.8467
H5	1.0936	2.4546	1.7808	1.7675		2.8467	3.4291
H6	2.5002	1.4285	2.6997	3.4291	2.8467		2.0680
H7	2.5002	1.4285	2.6997	2.8467	3.4291	2.0680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.382	C1	P2	H7	97.382
P2	C1	H3	113.397	P2	C1	H4	108.576
P2	C1	H5	108.576	H3	C1	H4	109.158
H3	C1	H5	109.158	H4	C1	H5	107.829
H6	P2	H7	92.744

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

using model chemistry: B97D3/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	-0.490
2	P	-0.062
3	H	0.162
4	H	0.170
5	H	0.170
6	H	0.024
7	H	0.024

	x	y	z	Total
	-0.520	1.041	0.000	1.163
CHELPG
AIM
ESP

	x	y	z
x	6.232	0.127	0.000
y	0.127	7.495	0.000
z	0.000	0.000	6.041

<r²>	45.348
(<r²>)^1/2	6.734

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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