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	hartrees
Energy at 0K	-382.468444
Energy at 298.15K	-382.474029
Nuclear repulsion energy	59.588695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3143	3026	9.77
2	A	3053	2939	19.74
3	A	2377	2289	99.09
4	A	1481	1426	6.92
5	A	1340	1290	0.41
6	A	1127	1085	14.88
7	A	1001	963	51.50
8	A	741	714	0.51
9	A	666	641	9.04
10	A	3133	3016	10.32
11	A	2387	2298	115.08
12	A	1485	1430	8.78
13	A	1040	1002	19.80
14	A	701	675	1.31
15	A	230	222	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.198	0.000
P2	0.070	-0.679	0.000
H3	-0.929	1.638	0.000
H4	0.613	1.550	0.882
H5	0.613	1.550	-0.882
H6	-0.888	-0.869	-1.038
H7	-0.888	-0.869	1.038

	C1	P2	H3	H4	H5	H6	H7
C1		1.8768	1.0924	1.0939	1.0939	2.5029	2.5029
P2	1.8768		2.5237	2.4576	2.4576	1.4251	1.4251
H3	1.0924	2.5237		1.7789	1.7789	2.7132	2.7132
H4	1.0939	2.4576	1.7789		1.7650	3.4330	2.8501
H5	1.0939	2.4576	1.7789	1.7650		2.8501	3.4330
H6	2.5029	1.4251	2.7132	3.4330	2.8501		2.0751
H7	2.5029	1.4251	2.7132	2.8501	3.4330	2.0751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.638	C1	P2	H7	97.638
P2	C1	H3	113.775	P2	C1	H4	108.761
P2	C1	H5	108.761	H3	C1	H4	108.905
H3	C1	H5	108.905	H4	C1	H5	107.556
H6	P2	H7	93.447

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

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.622
2	P	0.144
3	H	0.176
4	H	0.172
5	H	0.172
6	H	-0.021
7	H	-0.021

	x	y	z	Total
	-0.714	1.053	0.000	1.272
CHELPG
AIM
ESP

	x	y	z
x	5.029	0.250	0.000
y	0.250	6.281	-0.000
z	0.000	-0.000	5.058

<r²>	45.533
(<r²>)^1/2	6.748

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

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

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