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	hartrees
Energy at 0K	-94.626514
Energy at 298.15K
HF Energy	-94.626514
Nuclear repulsion energy	33.008409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3446	3323	1.34
2	A'	3126	3014	34.36
3	A'	3021	2913	49.41
4	A'	1726	1664	23.71
5	A'	1499	1446	5.99
6	A'	1368	1319	36.07
7	A'	1074	1036	37.87
8	A"	1172	1130	51.02
9	A"	1111	1071	15.33

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.681
H3	-0.842	1.212
H4	1.013	1.106
H5	-0.899	-1.046

	C1	N2	H3	H4	H5
C1		1.2629	1.0966	1.0913	1.8872
N2	1.2629		2.0950	2.0270	1.0220
H3	1.0966	2.0950		1.8580	2.2589
H4	1.0913	2.0270	1.8580		2.8785
H5	1.8872	1.0220	2.2589	2.8785

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.931		N2	C1	H3	125.076
N2	C1	H4	118.674		H3	C1	H4	116.250

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B3PW91/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	-0.142
2	N	-0.254
3	H	0.093
4	H	0.124
5	H	0.179

	x	y	z	Total
	-1.493	1.469	0.000	2.095
CHELPG
AIM
ESP

	x	y	z
x	2.796	0.182	0.000
y	0.182	4.100	0.000
z	0.000	0.000	1.787

<r²>	19.558
(<r²>)^1/2	4.422

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)