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	hartrees
Energy at 0K	-94.603312
Energy at 298.15K
HF Energy	-94.603312
Nuclear repulsion energy	32.958194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3489	3320	2.36
2	A'	3165	3012	39.41
3	A'	3060	2911	44.74
4	A'	1759	1674	25.27
5	A'	1514	1441	4.68
6	A'	1381	1314	43.79
7	A'	1081	1028	38.59
8	A"	1181	1124	51.99
9	A"	1105	1051	13.53

Atom	x (Å)	y (Å)
C1	0.056	0.583
N2	0.056	-0.683
H3	-0.837	1.220
H4	1.014	1.107
H5	-0.903	-1.038

	C1	N2	H3	H4	H5
C1		1.2660	1.0969	1.0920	1.8827
N2	1.2660		2.1023	2.0307	1.0221
H3	1.0969	2.1023		1.8537	2.2587
H4	1.0920	2.0307	1.8537		2.8764
H5	1.8827	1.0221	2.2587	2.8764

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.281		N2	C1	H3	125.531
N2	C1	H4	118.721		H3	C1	H4	115.749

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: mPW1PW91/6-31G**

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	-0.057
2	N	-0.449
3	H	0.115
4	H	0.138
5	H	0.253

	x	y	z	Total
	-1.435	1.397	0.000	2.002
CHELPG
AIM
ESP

	x	y	z
x	2.588	0.266	0.000
y	0.266	3.685	0.000
z	0.000	0.000	1.204

<r²>	19.402
(<r²>)^1/2	4.405

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₂NH (Methanimine)