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	hartrees
Energy at 0K	-94.594830
Energy at 298.15K
HF Energy	-94.594830
Nuclear repulsion energy	32.895633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3458	3314	3.50
2	A'	3142	3011	41.09
3	A'	3036	2910	48.98
4	A'	1743	1670	24.39
5	A'	1505	1442	4.28
6	A'	1374	1316	43.75
7	A'	1075	1031	38.43
8	A"	1173	1124	51.08
9	A"	1095	1049	13.38

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.685
H3	-0.837	1.224
H4	1.015	1.109
H5	-0.905	-1.039

	C1	N2	H3	H4	H5
C1		1.2684	1.0989	1.0938	1.8859
N2	1.2684		2.1071	2.0342	1.0244
H3	1.0989	2.1071		1.8562	2.2637
H4	1.0938	2.0342	1.8562		2.8814
H5	1.8859	1.0244	2.2637	2.8814

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.230		N2	C1	H3	125.623
N2	C1	H4	118.705		H3	C1	H4	115.672

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/6-31G**

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	-0.055
2	N	-0.444
3	H	0.112
4	H	0.136
5	H	0.252

	x	y	z	Total
	-1.425	1.381	0.000	1.985
CHELPG
AIM
ESP

	x	y	z
x	2.618	0.269	0.000
y	0.269	3.693	-0.000
z	0.000	-0.000	1.208

<r²>	19.452
(<r²>)^1/2	4.410

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₂NH (Methanimine)