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	hartrees
Energy at 0K	-94.070776
Energy at 298.15K
HF Energy	-94.070776
Nuclear repulsion energy	33.449304

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'	3704	3351	2.96	98.56	0.28	0.44
2	A'	3282	2969	32.29	75.59	0.61	0.76
3	A'	3192	2888	42.98	104.55	0.13	0.23
4	A'	1862	1684	35.78	33.43	0.06	0.11
5	A'	1602	1449	17.23	19.14	0.23	0.38
6	A'	1478	1337	46.70	2.63	0.30	0.46
7	A'	1151	1041	37.98	2.35	0.22	0.36
8	A"	1251	1132	55.52	0.08	0.75	0.86
9	A"	1227	1110	14.16	0.74	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.055	0.576
N2	0.055	-0.671
H3	-0.841	1.183
H4	0.996	1.105
H5	-0.875	-1.045

	C1	N2	H3	H4	H5
C1		1.2465	1.0830	1.0793	1.8685
N2	1.2465		2.0593	2.0096	1.0030
H3	1.0830	2.0593		1.8387	2.2278
H4	1.0793	2.0096	1.8387		2.8500
H5	1.8685	1.0030	2.2278	2.8500

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	111.872		N2	C1	H3	124.112
N2	C1	H4	119.382		H3	C1	H4	116.507

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: HF/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	-1.216
2	N	-1.053
3	H	0.869
4	H	0.972
5	H	0.427

	x	y	z	Total
	-1.433	1.654	0.000	2.188
CHELPG
AIM
ESP

	x	y	z
x	2.991	0.140	0.000
y	0.140	4.174	0.000
z	0.000	0.000	2.449

<r²>	19.285
(<r²>)^1/2	4.391

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)