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	hartrees
Energy at 0K	-94.532446
Energy at 298.15K
HF Energy	-94.429990
Nuclear repulsion energy	32.720860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3427	3284	2.74
2	A'	3159	3027	38.63
3	A'	3051	2923	45.06
4	A'	1703	1632	18.76
5	A'	1485	1423	3.51
6	A'	1380	1322	43.38
7	A'	1073	1029	32.15
8	A"	1173	1124	43.29
9	A"	1085	1039	12.43

Atom	x (Å)	y (Å)
C1	0.056	0.587
N2	0.056	-0.690
H3	-0.842	1.228
H4	1.023	1.111
H5	-0.915	-1.030

	C1	N2	H3	H4	H5
C1		1.2762	1.1042	1.0996	1.8862
N2	1.2762		2.1180	2.0435	1.0297
H3	1.1042	2.1180		1.8689	2.2594
H4	1.0996	2.0435	1.8689		2.8880
H5	1.8862	1.0297	2.2594	2.8880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.299		N2	C1	H3	125.528
N2	C1	H4	118.470		H3	C1	H4	116.002

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B2PLYP=FULLultrafine/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	0.014
2	N	-0.169
3	H	0.022
4	H	0.042
5	H	0.090

	x	y	z	Total
	-1.314	1.270	0.000	1.827
CHELPG
AIM
ESP

	x	y	z
x	2.627	0.263	0.000
y	0.263	3.669	0.000
z	0.000	0.000	1.348

<r²>	19.650
(<r²>)^1/2	4.433

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)