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	hartrees
Energy at 0K	-94.605507
Energy at 298.15K
HF Energy	-94.605507
Nuclear repulsion energy	32.864647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3446	3303	1.41
2	A'	3146	3015	37.54
3	A'	3042	2915	44.25
4	A'	1748	1675	25.18
5	A'	1483	1421	4.41
6	A'	1373	1315	44.04
7	A'	1068	1024	32.32
8	A"	1175	1126	43.59
9	A"	1093	1048	14.61

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.685
H3	-0.842	1.226
H4	1.022	1.109
H5	-0.911	-1.033

	C1	N2	H3	H4	H5
C1		1.2671	1.1046	1.1003	1.8826
N2	1.2671		2.1110	2.0375	1.0280
H3	1.1046	2.1110		1.8672	2.2597
H4	1.1003	2.0375	1.8672		2.8854
H5	1.8826	1.0280	2.2597	2.8854

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	109.788		N2	C1	H3	125.633
N2	C1	H4	118.621		H3	C1	H4	115.746

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: mPW1PW91/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	-0.004
2	N	-0.187
3	H	0.037
4	H	0.056
5	H	0.098

	x	y	z	Total
	-1.321	1.285	0.000	1.843
CHELPG
AIM
ESP

	x	y	z
x	2.611	0.258	0.000
y	0.258	3.693	0.000
z	0.000	0.000	1.360

<r²>	19.463
(<r²>)^1/2	4.412

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)