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	hartrees
Energy at 0K	-94.586053
Energy at 298.15K
HF Energy	-94.586053
Nuclear repulsion energy	32.862802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3428	3295	1.87
2	A'	3132	3010	40.41
3	A'	3030	2913	45.39
4	A'	1742	1674	25.12
5	A'	1474	1417	3.65
6	A'	1365	1312	42.83
7	A'	1063	1021	31.95
8	A"	1170	1125	42.02
9	A"	1083	1041	13.92

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.685
H3	-0.841	1.226
H4	1.023	1.108
H5	-0.912	-1.032

	C1	N2	H3	H4	H5
C1		1.2672	1.1045	1.1001	1.8822
N2	1.2672		2.1110	2.0369	1.0286
H3	1.1045	2.1110		1.8676	2.2587
H4	1.1001	2.0369	1.8676		2.8848
H5	1.8822	1.0286	2.2587	2.8848

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.710		N2	C1	H3	125.635
N2	C1	H4	118.557		H3	C1	H4	115.807

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B1B95/cc-pVDZ

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	0.013
2	N	-0.173
3	H	0.024
4	H	0.044
5	H	0.093

	x	y	z	Total
	-1.305	1.243	0.000	1.803
CHELPG
AIM
ESP

	x	y	z
x	2.638	0.265	0.000
y	0.265	3.686	0.000
z	0.000	0.000	1.357

<r²>	19.466
(<r²>)^1/2	4.412

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)