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	hartrees
Energy at 0K	-382.438401
Energy at 298.15K	-382.444027
Nuclear repulsion energy	59.997463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3032	8.62
2	A	3095	2938	13.50
3	A	2440	2316	87.40
4	A	1507	1430	6.76
5	A	1362	1293	0.59
6	A	1148	1090	17.15
7	A	1015	964	52.34
8	A	758	719	0.79
9	A	694	659	6.72
10	A	3182	3020	7.67
11	A	2449	2325	119.80
12	A	1508	1432	8.47
13	A	1057	1003	22.66
14	A	714	678	0.65
15	A	243	231	3.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.186	0.000
P2	0.071	-0.674	0.000
H3	-0.927	1.624	0.000
H4	0.612	1.539	0.880
H5	0.612	1.539	-0.880
H6	-0.889	-0.855	-1.030
H7	-0.889	-0.855	1.030

	C1	P2	H3	H4	H5	H6	H7
C1		1.8591	1.0899	1.0916	1.0916	2.4791	2.4791
P2	1.8591		2.5048	2.4414	2.4414	1.4195	1.4195
H3	1.0899	2.5048		1.7747	1.7747	2.6849	2.6849
H4	1.0916	2.4414	1.7747		1.7599	3.4102	2.8289
H5	1.0916	2.4414	1.7747	1.7599		2.8289	3.4102
H6	2.4791	1.4195	2.6849	3.4102	2.8289		2.0608
H7	2.4791	1.4195	2.6849	2.8289	3.4102	2.0608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.344	C1	P2	H7	97.344
P2	C1	H3	113.719	P2	C1	H4	108.869
P2	C1	H5	108.869	H3	C1	H4	108.881
H3	C1	H5	108.881	H4	C1	H5	107.436
H6	P2	H7	93.090

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

using model chemistry: B1B95/6-31G*

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	-0.680
2	P	0.055
3	H	0.196
4	H	0.194
5	H	0.194
6	H	0.021
7	H	0.021

	x	y	z	Total
	-0.753	1.121	0.000	1.350
CHELPG
AIM
ESP

	x	y	z
x	4.222	0.346	0.000
y	0.346	5.264	0.000
z	0.000	0.000	4.605

<r²>	44.635
(<r²>)^1/2	6.681

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

using model chemistry: B1B95/6-31G*

States and conformations

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