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	hartrees
Energy at 0K	-94.648493
Energy at 298.15K
HF Energy	-94.648493
Nuclear repulsion energy	32.750964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3396	3.09
2	A'	3127	3127	34.08
3	A'	3017	3017	56.70
4	A'	1695	1695	21.10
5	A'	1485	1485	5.50
6	A'	1369	1369	38.57
7	A'	1063	1063	32.80
8	A"	1159	1159	45.77
9	A"	1095	1095	14.16

Atom	x (Å)	y (Å)
C1	0.057	0.588
N2	0.057	-0.688
H3	-0.848	1.217
H4	1.020	1.112
H5	-0.908	-1.045

	C1	N2	H3	H4	H5
C1		1.2756	1.1014	1.0965	1.8962
N2	1.2756		2.1081	2.0412	1.0283
H3	1.1014	2.1081		1.8703	2.2623
H4	1.0965	2.0412	1.8703		2.8925
H5	1.8962	1.0283	2.2623	2.8925

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.324		N2	C1	H3	124.812
N2	C1	H4	118.554		H3	C1	H4	116.634

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: TPSSh/daug-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	0.677
2	N	0.126
3	H	-0.430
4	H	-0.364
5	H	-0.009

	x	y	z	Total
	-1.330	1.497	0.000	2.002
CHELPG
AIM
ESP

	x	y	z
x	3.379	0.110	0.000
y	0.110	4.440	0.000
z	0.000	0.000	2.593

<r²>	19.808
(<r²>)^1/2	4.451

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: TPSSh/daug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)