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	hartrees
Energy at 0K	-382.469408
Energy at 298.15K	-382.475033
Nuclear repulsion energy	60.029023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3159	3028	10.52
2	A	3067	2940	18.65
3	A	2388	2290	79.57
4	A	1492	1430	7.35
5	A	1350	1294	0.86
6	A	1139	1092	19.82
7	A	1011	969	67.05
8	A	754	723	0.54
9	A	687	659	8.95
10	A	3147	3016	10.28
11	A	2394	2295	99.22
12	A	1493	1431	9.68
13	A	1051	1007	24.87
14	A	711	681	0.56
15	A	241	231	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.184	0.000
P2	0.071	-0.674	0.000
H3	-0.924	1.625	0.000
H4	0.612	1.537	0.878
H5	0.612	1.537	-0.878
H6	-0.892	-0.850	-1.031
H7	-0.892	-0.850	1.031

	C1	P2	H3	H4	H5	H6	H7
C1		1.8574	1.0881	1.0900	1.0900	2.4754	2.4754
P2	1.8574		2.5048	2.4396	2.4396	1.4217	1.4217
H3	1.0881	2.5048		1.7709	1.7709	2.6819	2.6819
H4	1.0900	2.4396	1.7709		1.7554	3.4068	2.8259
H5	1.0900	2.4396	1.7709	1.7554		2.8259	3.4068
H6	2.4754	1.4217	2.6819	3.4068	2.8259		2.0622
H7	2.4754	1.4217	2.6819	2.8259	3.4068	2.0622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.142	C1	P2	H7	97.142
P2	C1	H3	113.937	P2	C1	H4	108.932
P2	C1	H5	108.932	H3	C1	H4	108.784
H3	C1	H5	108.784	H4	C1	H5	107.266
H6	P2	H7	92.982

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

using model chemistry: B1B95/6-311G*

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	-0.889
2	P	0.026
3	H	0.249
4	H	0.248
5	H	0.248
6	H	0.059
7	H	0.059

	x	y	z	Total
	-0.690	1.082	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	4.789	0.309	0.000
y	0.309	5.774	0.000
z	0.000	0.000	5.022

<r²>	44.884
(<r²>)^1/2	6.700

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

using model chemistry: B1B95/6-311G*

States and conformations

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