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	hartrees
Energy at 0K	-94.639894
Energy at 298.15K
HF Energy	-94.639894
Nuclear repulsion energy	33.080780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3481	3335	0.80
2	A'	3138	3006	27.79
3	A'	3041	2914	47.56
4	A'	1732	1660	23.76
5	A'	1492	1430	7.48
6	A'	1370	1312	41.46
7	A'	1072	1027	36.07
8	A"	1170	1121	43.51
9	A"	1106	1059	18.17

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.679
H3	-0.844	1.203
H4	1.010	1.107
H5	-0.894	-1.046

	C1	N2	H3	H4	H5
C1		1.2607	1.0933	1.0891	1.8847
N2	1.2607		2.0860	2.0250	1.0184
H3	1.0933	2.0860		1.8558	2.2498
H4	1.0891	2.0250	1.8558		2.8743
H5	1.8847	1.0184	2.2498	2.8743

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.132		N2	C1	H3	124.639
N2	C1	H4	118.860		H3	C1	H4	116.501

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	-0.358
2	N	-0.448
3	H	0.329
4	H	0.335
5	H	0.143

	x	y	z	Total
	-1.362	1.482	0.000	2.013
CHELPG
AIM
ESP

	x	y	z
x	3.240	0.108	0.000
y	0.108	4.306	0.000
z	0.000	0.000	2.516

<r²>	19.526
(<r²>)^1/2	4.419

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)