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	hartrees
Energy at 0K	-382.444840
Energy at 298.15K	-382.450454
Nuclear repulsion energy	59.957316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3041	8.20
2	A	3082	2943	13.02
3	A	2417	2308	78.99
4	A	1483	1416	6.14
5	A	1338	1278	0.44
6	A	1127	1076	17.34
7	A	1003	957	49.55
8	A	751	717	0.80
9	A	687	656	6.80
10	A	3172	3029	7.18
11	A	2428	2318	108.12
12	A	1486	1419	7.75
13	A	1045	998	21.76
14	A	707	675	0.61
15	A	241	230	3.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.071	1.187	0.000
P2	0.071	-0.674	0.000
H3	-0.927	1.626	0.000
H4	0.612	1.538	0.880
H5	0.612	1.538	-0.880
H6	-0.890	-0.858	-1.031
H7	-0.890	-0.858	1.031

	C1	P2	H3	H4	H5	H6	H7
C1		1.8609	1.0896	1.0913	1.0913	2.4831	2.4831
P2	1.8609		2.5065	2.4413	2.4413	1.4209	1.4209
H3	1.0896	2.5065		1.7751	1.7751	2.6889	2.6889
H4	1.0913	2.4413	1.7751		1.7599	3.4127	2.8317
H5	1.0913	2.4413	1.7751	1.7599		2.8317	3.4127
H6	2.4831	1.4209	2.6889	3.4127	2.8317		2.0614
H7	2.4831	1.4209	2.6889	2.8317	3.4127	2.0614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.432	C1	P2	H7	97.432
P2	C1	H3	113.739	P2	C1	H4	108.758
P2	C1	H5	108.758	H3	C1	H4	108.963
H3	C1	H5	108.963	H4	C1	H5	107.479
H6	P2	H7	93.001

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	-0.556
2	P	0.117
3	H	0.154
4	H	0.153
5	H	0.153
6	H	-0.010
7	H	-0.010

	x	y	z	Total
	-0.751	1.116	0.000	1.345
CHELPG
AIM
ESP

	x	y	z
x	4.293	0.349	0.000
y	0.349	5.366	0.000
z	0.000	0.000	4.665

<r²>	44.656
(<r²>)^1/2	6.683

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)