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	hartrees
Energy at 0K	-94.617851
Energy at 298.15K
HF Energy	-94.617851
Nuclear repulsion energy	33.120364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3476	3476	0.89
2	A'	3140	3140	29.42
3	A'	3043	3043	48.26
4	A'	1735	1735	24.48
5	A'	1492	1492	6.97
6	A'	1367	1367	40.45
7	A'	1070	1070	36.14
8	A"	1171	1171	43.29
9	A"	1106	1106	17.18

Atom	x (Å)	y (Å)
C1	0.056	0.581
N2	0.056	-0.678
H3	-0.843	1.201
H4	1.008	1.106
H5	-0.893	-1.045

	C1	N2	H3	H4	H5
C1		1.2593	1.0914	1.0873	1.8831
N2	1.2593		2.0827	2.0224	1.0175
H3	1.0914	2.0827		1.8531	2.2467
H4	1.0873	2.0224	1.8531		2.8710
H5	1.8831	1.0175	2.2467	2.8710

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.155		N2	C1	H3	124.592
N2	C1	H4	118.863		H3	C1	H4	116.545

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B1B95/daug-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	-1.106
2	N	-0.964
3	H	0.818
4	H	0.898
5	H	0.354

	x	y	z	Total
	-1.356	1.465	0.000	1.996
CHELPG
AIM
ESP

	x	y	z
x	3.260	0.110	0.000
y	0.110	4.303	0.000
z	0.000	0.000	2.526

<r²>	19.500
(<r²>)^1/2	4.416

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B1B95/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)