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	hartrees
Energy at 0K	-131.961893
Energy at 298.15K	-131.964364
HF Energy	-131.961893
Nuclear repulsion energy	59.319505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3327	9.35
2	A'	3130	3072	15.52
3	A'	2158	2118	295.85
4	A'	1395	1369	6.50
5	A'	1164	1142	24.17
6	A'	989	971	208.08
7	A'	652	639	108.85
8	A'	473	464	22.28
9	A"	3215	3155	3.07
10	A"	959	941	2.70
11	A"	878	861	59.32
12	A"	410	402	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.113	-1.248	0.000
C2	0.000	0.058	0.000
N3	-0.229	1.265	0.000
H4	0.168	-1.803	0.940
H5	0.168	-1.803	-0.940
H6	0.588	1.893	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3116	2.5365	1.0928	1.0928	3.1773
C2	1.3116		1.2282	2.0918	2.0918	1.9269
N3	2.5365	1.2282		3.2329	3.2329	1.0307
H4	1.0928	2.0918	3.2329		1.8805	3.8367
H5	1.0928	2.0918	3.2329	1.8805		3.8367
H6	3.1773	1.9269	1.0307	3.8367	3.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.204	C2	C1	H4	120.638
C2	C1	H5	120.638	C2	N3	H6	116.816
H4	C1	H5	118.719

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: LSDA/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	-0.557
2	C	0.436
3	N	-0.632
4	H	0.204
5	H	0.204
6	H	0.344

	x	y	z	Total
	1.582	-0.205	0.000	1.596
CHELPG
AIM
ESP

	x	y	z
x	2.017	-0.271	0.000
y	-0.271	7.225	0.000
z	0.000	0.000	2.493

<r²>	43.975
(<r²>)^1/2	6.631

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)