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	hartrees
Energy at 0K	-94.473093
Energy at 298.15K
HF Energy	-94.473093
Nuclear repulsion energy	32.383031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3211	25.17
2	A'	3098	3055	39.57
3	A'	2959	2918	61.80
4	A'	1656	1633	12.96
5	A'	1487	1467	3.32
6	A'	1322	1304	47.86
7	A'	1052	1037	51.90
8	A"	1147	1131	59.91
9	A"	1074	1059	21.01

Atom	x (Å)	y (Å)
C1	0.055	0.597
N2	0.055	-0.694
H3	-0.836	1.254
H4	1.024	1.114
H5	-0.906	-1.096

	C1	N2	H3	H4	H5
C1		1.2911	1.1068	1.0983	1.9475
N2	1.2911		2.1419	2.0514	1.0422
H3	1.1068	2.1419		1.8652	2.3515
H4	1.0983	2.0514	1.8652		2.9348
H5	1.9475	1.0422	2.3515	2.9348

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	112.729		N2	C1	H3	126.397
N2	C1	H4	118.078		H3	C1	H4	115.526

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: PBEPBE/6-31G

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	-0.147
2	N	-0.413
3	H	0.133
4	H	0.164
5	H	0.264

	x	y	z	Total
	-1.584	1.340	0.000	2.075
CHELPG
AIM
ESP

	x	y	z
x	2.617	0.277	0.000
y	0.277	3.843	0.000
z	0.000	0.000	1.055

<r²>	20.003
(<r²>)^1/2	4.472

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: PBEPBE/6-31G

States and conformations

All results from a given calculation for CH₂NH (Methanimine)