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	hartrees
Energy at 0K	-94.564613
Energy at 298.15K
HF Energy	-94.564613
Nuclear repulsion energy	32.736104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3425	3242	10.72
2	A'	3211	3039	37.52
3	A'	3080	2915	46.45
4	A'	1733	1640	15.72
5	A'	1539	1457	6.10
6	A'	1369	1296	49.67
7	A'	1087	1029	55.71
8	A"	1190	1126	66.88
9	A"	1129	1068	23.48

Atom	x (Å)	y (Å)
C1	0.055	0.592
N2	0.055	-0.685
H3	-0.834	1.232
H4	1.010	1.110
H5	-0.885	-1.100

	C1	N2	H3	H4	H5
C1		1.2773	1.0947	1.0872	1.9361
N2	1.2773		2.1128	2.0339	1.0274
H3	1.0947	2.1128		1.8483	2.3329
H4	1.0872	2.0339	1.8483		2.9121
H5	1.9361	1.0274	2.3329	2.9121

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	113.851		N2	C1	H3	125.755
N2	C1	H4	118.451		H3	C1	H4	115.794

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: mPW1PW91/6-31G

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	-0.153
2	N	-0.455
3	H	0.148
4	H	0.178
5	H	0.282

	x	y	z	Total
	-1.684	1.446	0.000	2.220
CHELPG
AIM
ESP

	x	y	z
x	2.458	0.274	0.000
y	0.274	3.754	0.000
z	0.000	0.000	1.030

<r²>	19.705
(<r²>)^1/2	4.439

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)