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	hartrees
Energy at 0K	-94.072542
Energy at 298.15K
HF Energy	-94.072542
Nuclear repulsion energy	33.461596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3707	3360	1.82	105.56	0.30	0.46
2	A'	3284	2976	36.06	77.05	0.60	0.75
3	A'	3193	2894	42.48	106.43	0.17	0.29
4	A'	1867	1692	34.96	23.60	0.10	0.19
5	A'	1605	1454	15.95	18.91	0.32	0.49
6	A'	1481	1342	48.14	2.52	0.71	0.83
7	A'	1153	1045	39.22	2.00	0.38	0.55
8	A"	1255	1137	54.54	0.03	0.75	0.86
9	A"	1228	1113	15.01	0.24	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.055	0.575
N2	0.055	-0.671
H3	-0.841	1.184
H4	0.996	1.105
H5	-0.876	-1.044

	C1	N2	H3	H4	H5
C1		1.2458	1.0831	1.0793	1.8673
N2	1.2458		2.0594	2.0091	1.0028
H3	1.0831	2.0594		1.8382	2.2274
H4	1.0793	2.0091	1.8382		2.8491
H5	1.8673	1.0028	2.2274	2.8491

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.829		N2	C1	H3	124.178
N2	C1	H4	119.385		H3	C1	H4	116.437

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: HF/Def2TZVPP

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	0.082
2	N	-0.360
3	H	0.048
4	H	0.067
5	H	0.162

	x	y	z	Total
	-1.462	1.623	0.000	2.185
CHELPG
AIM
ESP

	x	y	z
x	2.716	0.186	0.000
y	0.186	4.028	0.000
z	0.000	0.000	2.029

<r²>	19.245
(<r²>)^1/2	4.387

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)