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	hartrees
Energy at 0K	-17.292152
Energy at 298.15K	-17.295120
Nuclear repulsion energy	18.984174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3490	3341	3.17
2	A'	3166	3031	49.18
3	A'	3057	2927	66.12
4	A'	1727	1653	29.81
5	A'	1484	1421	5.21
6	A'	1364	1306	36.16
7	A'	1067	1021	32.86
8	A"	1158	1108	52.25
9	A"	1089	1042	20.83

Atom	x (Å)	y (Å)
C1	0.057	0.591
N2	0.057	-0.695
H3	-0.848	1.230
H4	1.023	1.120
H5	-0.914	-1.035

	C1	N2	H3	H4	H5
C1		1.2857	1.1074	1.1017	1.8940
N2	1.2857		2.1264	2.0560	1.0286
H3	1.1074	2.1264		1.8743	2.2660
H4	1.1017	2.0560	1.8743		2.8978
H5	1.8940	1.0286	2.2660	2.8978

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.344		N2	C1	H3	125.218
N2	C1	H4	118.695		H3	C1	H4	116.087

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B1B95/CEP-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	-0.532
2	N	-0.085
3	H	0.182
4	H	0.197
5	H	0.238

	x	y	z	Total
	-1.537	1.555	0.000	2.186
CHELPG
AIM
ESP

	x	y	z
x	2.404	0.245	0.000
y	0.245	3.569	0.000
z	0.000	0.000	1.471

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for CH₂NH (Methanimine)