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	hartrees
Energy at 0K	-382.512907
Energy at 298.15K	-382.518502
HF Energy	-382.512907
Nuclear repulsion energy	59.878473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3025	10.80
2	A'	3038	2942	15.81
3	A'	2396	2320	61.65
4	A'	1485	1438	4.26
5	A'	1328	1286	0.14
6	A'	1123	1087	16.80
7	A'	997	966	35.22
8	A'	736	712	0.39
9	A'	671	649	8.16
10	A"	3112	3014	10.01
11	A"	2400	2324	82.43
12	A"	1489	1442	4.88
13	A"	1039	1006	16.92
14	A"	694	672	0.65
15	A"	232	225	1.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.070	1.188	0.000
P2	0.070	-0.674	0.000
H3	-0.928	1.624	0.000
H4	0.611	1.537	0.881
H5	0.611	1.537	-0.881
H6	-0.886	-0.858	-1.033
H7	-0.886	-0.858	1.033

	C1	P2	H3	H4	H5	H6	H7
C1		1.8624	1.0897	1.0909	1.0909	2.4836	2.4836
P2	1.8624		2.5060	2.4406	2.4406	1.4193	1.4193
H3	1.0897	2.5060		1.7758	1.7758	2.6889	2.6889
H4	1.0909	2.4406	1.7758		1.7624	3.4115	2.8282
H5	1.0909	2.4406	1.7758	1.7624		2.8282	3.4115
H6	2.4836	1.4193	2.6889	3.4115	2.8282		2.0651
H7	2.4836	1.4193	2.6889	2.8282	3.4115	2.0651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	P2	H6	97.450	C1	P2	H7	97.450
P2	C1	H3	113.586	P2	C1	H4	108.629
P2	C1	H5	108.629	H3	C1	H4	109.042
H3	C1	H5	109.042	H4	C1	H5	107.754
H6	P2	H7	93.360

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

using model chemistry: TPSSh/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	-0.275
2	P	0.016
3	H	0.092
4	H	0.088
5	H	0.088
6	H	-0.004
7	H	-0.004

	x	y	z	Total
	-0.582	1.053	0.000	1.203
CHELPG
AIM
ESP

	x	y	z
x	5.262	0.295	0.000
y	0.295	6.553	0.000
z	0.000	0.000	5.441

<r²>	44.903
(<r²>)^1/2	6.701

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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