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	hartrees
Energy at 0K	-94.635789
Energy at 298.15K
HF Energy	-94.635789
Nuclear repulsion energy	33.061118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3475	3315	0.99
2	A'	3146	3001	33.23
3	A'	3042	2902	46.61
4	A'	1740	1660	24.17
5	A'	1507	1438	6.46
6	A'	1375	1312	36.14
7	A'	1079	1030	38.20
8	A"	1179	1125	51.49
9	A"	1120	1069	15.33

Atom	x (Å)	y (Å)
C1	0.056	0.581
N2	0.056	-0.680
H3	-0.841	1.209
H4	1.012	1.105
H5	-0.896	-1.045

	C1	N2	H3	H4	H5
C1		1.2609	1.0949	1.0899	1.8848
N2	1.2609		2.0911	2.0243	1.0200
H3	1.0949	2.0911		1.8556	2.2554
H4	1.0899	2.0243	1.8556		2.8747
H5	1.8848	1.0200	2.2554	2.8747

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.011		N2	C1	H3	125.005
N2	C1	H4	118.711		H3	C1	H4	116.284

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: mPW1PW91/TZVP

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	-0.141
2	N	-0.251
3	H	0.092
4	H	0.123
5	H	0.178

	x	y	z	Total
	-1.498	1.472	0.000	2.100
CHELPG
AIM
ESP

	x	y	z
x	2.767	0.184	0.000
y	0.184	4.070	0.000
z	0.000	0.000	1.775

<r²>	19.514
(<r²>)^1/2	4.417

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)