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	hartrees
Energy at 0K	-94.545474
Energy at 298.15K
HF Energy	-94.545474
Nuclear repulsion energy	32.728511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3399	3242	12.51
2	A'	3197	3049	38.57
3	A'	3065	2924	47.51
4	A'	1726	1646	16.06
5	A'	1533	1462	5.54
6	A'	1359	1296	48.46
7	A'	1080	1030	55.55
8	A"	1185	1130	64.16
9	A"	1121	1069	22.34

Atom	x (Å)	y (Å)
C1	0.055	0.592
N2	0.055	-0.685
H3	-0.833	1.234
H4	1.011	1.109
H5	-0.887	-1.099

	C1	N2	H3	H4	H5
C1		1.2773	1.0952	1.0874	1.9358
N2	1.2773		2.1144	2.0334	1.0286
H3	1.0952	2.1144		1.8483	2.3337
H4	1.0874	2.0334	1.8483		2.9121
H5	1.9358	1.0286	2.3337	2.9121

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	113.730		N2	C1	H3	125.873
N2	C1	H4	118.388		H3	C1	H4	115.740

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B1B95/6-31G

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	-0.139
2	N	-0.439
3	H	0.137
4	H	0.167
5	H	0.274

	x	y	z	Total
	-1.666	1.409	0.000	2.181
CHELPG
AIM
ESP

	x	y	z
x	2.482	0.281	0.000
y	0.281	3.749	0.000
z	0.000	0.000	1.027

<r²>	19.712
(<r²>)^1/2	4.440

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)