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	hartrees
Energy at 0K	-131.980439
Energy at 298.15K	-131.983105
HF Energy	-131.980439
Nuclear repulsion energy	59.425166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3241	4.89
2	A'	3182	3070	7.48
3	A'	2174	2097	263.36
4	A'	1490	1438	10.86
5	A'	1183	1142	5.57
6	A'	995	961	333.06
7	A'	774	747	132.54
8	A'	529	510	31.72
9	A"	3260	3145	0.01
10	A"	1056	1019	2.18
11	A"	923	890	65.98
12	A"	465	449	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.118	-1.249	0.000
C2	0.000	0.057	0.000
N3	0.020	1.280	0.000
H4	-0.171	-1.803	0.929
H5	-0.171	-1.803	-0.929
H6	0.910	1.800	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3109	2.5330	1.0831	1.0831	3.2178
C2	1.3109		1.2238	2.0856	2.0856	1.9668
N3	2.5330	1.2238		3.2255	3.2255	1.0307
H4	1.0831	2.0856	3.2255		1.8589	3.8747
H5	1.0831	2.0856	3.2255	1.8589		3.8747
H6	3.2178	1.9668	1.0307	3.8747	3.8747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.779	C2	C1	H4	120.890
C2	C1	H5	120.890	C2	N3	H6	121.241
H4	C1	H5	118.218

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYPultrafine/3-21G

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	-0.401
2	C	0.393
3	N	-0.730
4	H	0.222
5	H	0.222
6	H	0.294

	x	y	z	Total
	1.638	-0.231	0.000	1.654
CHELPG
AIM
ESP

	x	y	z
x	1.559	0.749	0.000
y	0.749	6.785	0.000
z	0.000	0.000	2.115

<r²>	44.074
(<r²>)^1/2	6.639

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)