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	hartrees
Energy at 0K	-94.628972
Energy at 298.15K
HF Energy	-94.628972
Nuclear repulsion energy	33.052724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3484	3327	0.99
2	A'	3150	3009	32.51
3	A'	3044	2907	43.68
4	A'	1743	1664	25.27
5	A'	1510	1442	6.76
6	A'	1379	1317	35.83
7	A'	1089	1040	37.92
8	A"	1180	1127	51.01
9	A"	1123	1072	16.29

Atom	x (Å)	y (Å)
C1	0.056	0.582
N2	0.056	-0.680
H3	-0.843	1.207
H4	1.012	1.106
H5	-0.896	-1.045

	C1	N2	H3	H4	H5
C1		1.2615	1.0950	1.0899	1.8851
N2	1.2615		2.0899	2.0251	1.0199
H3	1.0950	2.0899		1.8575	2.2526
H4	1.0899	2.0251	1.8575		2.8750
H5	1.8851	1.0199	2.2526	2.8750

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H5	110.994		N2	C1	H3	124.810
N2	C1	H4	118.729		H3	C1	H4	116.461

All results from a given calculation for CH₂NH (Methanimine)

using model chemistry: wB97X-D/TZVP

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	-0.134
2	N	-0.262
3	H	0.092
4	H	0.123
5	H	0.181

	x	y	z	Total
	-1.523	1.510	0.000	2.145
CHELPG
AIM
ESP

	x	y	z
x	2.767	0.185	0.000
y	0.185	4.086	0.000
z	0.000	0.000	1.799

<r²>	19.515
(<r²>)^1/2	4.418

All results from a given calculation for CH2NH (Methanimine)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CH₂NH (Methanimine)