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	hartrees
Energy at 0K	-94.615423
Energy at 298.15K
HF Energy	-94.615423
Nuclear repulsion energy	33.126354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3475	3326	0.46
2	A'	3135	3001	36.32
3	A'	3041	2910	48.93
4	A'	1741	1666	23.23
5	A'	1495	1431	5.97
6	A'	1372	1313	44.25
7	A'	1072	1026	37.35
8	A"	1177	1126	45.08
9	A"	1106	1059	16.01

Atom	x (Å)	y (Å)
C1	0.056	0.580
N2	0.056	-0.679
H3	-0.840	1.205
H4	1.009	1.105
H5	-0.896	-1.039

	C1	N2	H3	H4	H5
C1		1.2588	1.0920	1.0879	1.8781
N2	1.2588		2.0856	2.0224	1.0178
H3	1.0920	2.0856		1.8510	2.2444
H4	1.0879	2.0224	1.8510		2.8679
H5	1.8781	1.0178	2.2444	2.8679

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.723		N2	C1	H3	124.901
N2	C1	H4	118.866		H3	C1	H4	116.233

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: B1B95/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	-0.111
2	N	-0.249
3	H	0.083
4	H	0.121
5	H	0.155

	x	y	z	Total
	-1.347	1.388	0.000	1.934
CHELPG
AIM
ESP

	x	y	z
x	2.882	0.195	0.000
y	0.195	3.948	0.000
z	0.000	0.000	1.886

<r²>	19.390
(<r²>)^1/2	4.403

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NH (Methanimine)