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	hartrees
Energy at 0K	-94.641605
Energy at 298.15K
HF Energy	-94.641605
Nuclear repulsion energy	33.085818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3483	3483	0.49
2	A'	3140	3140	31.20
3	A'	3042	3042	46.49
4	A'	1737	1737	23.49
5	A'	1495	1495	6.81
6	A'	1373	1373	43.40
7	A'	1074	1074	37.74
8	A"	1174	1174	45.09
9	A"	1109	1109	16.74

Atom	x (Å)	y (Å)
C1	0.056	0.581
N2	0.056	-0.679
H3	-0.843	1.205
H4	1.010	1.107
H5	-0.894	-1.045

	C1	N2	H3	H4	H5
C1		1.2602	1.0937	1.0894	1.8839
N2	1.2602		2.0870	2.0247	1.0185
H3	1.0937	2.0870		1.8554	2.2507
H4	1.0894	2.0247	1.8554		2.8739
H5	1.8839	1.0185	2.2507	2.8739

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.084		N2	C1	H3	124.757
N2	C1	H4	118.843		H3	C1	H4	116.400

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: mPW1PW91/Def2TZVPP

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	-0.068
2	N	-0.257
3	H	0.075
4	H	0.096
5	H	0.154

	x	y	z	Total
	-1.380	1.439	0.000	1.993
CHELPG
AIM
ESP

	x	y	z
x	2.939	0.174	0.000
y	0.174	4.092	0.000
z	0.000	0.000	2.065

<r²>	19.468
(<r²>)^1/2	4.412

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)