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	hartrees
Energy at 0K	-131.895271
Energy at 298.15K	-131.898000
HF Energy	-131.895271
Nuclear repulsion energy	59.957735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3389	54.50
2	A'	3326	3028	9.42
3	A'	2234	2034	641.66
4	A'	1551	1412	1.47
5	A'	1241	1130	40.15
6	A'	1136	1034	182.69
7	A'	838	763	100.36
8	A'	523	476	22.65
9	A"	3429	3122	0.18
10	A"	1086	989	0.00
11	A"	961	875	62.10
12	A"	461	420	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.190	-1.231	0.000
C2	0.000	0.062	0.000
N3	0.090	1.273	0.000
H4	-0.265	-1.762	0.935
H5	-0.265	-1.762	-0.935
H6	1.035	1.623	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3068	2.5188	1.0778	1.0778	3.1054
C2	1.3068		1.2136	2.0667	2.0667	1.8728
N3	2.5188	1.2136		3.1948	3.1948	1.0077
H4	1.0778	2.0667	3.1948		1.8697	3.7444
H5	1.0778	2.0667	3.1948	1.8697		3.7444
H6	3.1054	1.8728	1.0077	3.7444	3.7444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.925	C2	C1	H4	119.844
C2	C1	H5	119.844	C2	N3	H6	114.621
H4	C1	H5	120.310

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/aug-cc-pVDZ

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	0.751
2	C	-0.205
3	N	-0.295
4	H	-0.175
5	H	-0.175
6	H	0.098

	x	y	z	Total
	1.385	-0.891	0.000	1.646
CHELPG
AIM
ESP

	x	y	z
x	3.837	0.694	0.000
y	0.694	7.735	0.000
z	0.000	0.000	3.507

<r²>	43.859
(<r²>)^1/2	6.623

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)