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	hartrees
Energy at 0K	-132.543178
Energy at 298.15K	-132.545639
HF Energy	-132.543178
Nuclear repulsion energy	58.970925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3294	2.96
2	A'	3125	3074	6.71
3	A'	2098	2063	268.56
4	A'	1408	1385	5.03
5	A'	1148	1129	23.52
6	A'	1027	1010	185.19
7	A'	650	639	99.58
8	A'	457	450	17.59
9	A"	3208	3155	0.28
10	A"	974	958	0.64
11	A"	887	872	53.72
12	A"	403	397	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.212	-1.245	0.000
C2	0.000	0.059	0.000
N3	-0.334	1.252	0.000
H4	0.309	-1.792	0.940
H5	0.309	-1.792	-0.940
H6	0.447	1.928	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3211	2.5559	1.0922	1.0922	3.1813
C2	1.3211		1.2388	2.0994	2.0994	1.9213
N3	2.5559	1.2388		3.2505	3.2505	1.0323
H4	1.0922	2.0994	3.2505		1.8803	3.8395
H5	1.0922	2.0994	3.2505	1.8803		3.8395
H6	3.1813	1.9213	1.0323	3.8395	3.8395

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.600	C2	C1	H4	120.596
C2	C1	H5	120.596	C2	N3	H6	115.255
H4	C1	H5	118.801

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBEPBEultrafine/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	-0.513
2	C	0.439
3	N	-0.633
4	H	0.190
5	H	0.190
6	H	0.326

	x	y	z	Total
	1.557	-0.145	0.000	1.564
CHELPG
AIM
ESP

	x	y	z
x	2.123	-0.664	0.000
y	-0.664	7.205	0.000
z	0.000	0.000	2.487

<r²>	44.403
(<r²>)^1/2	6.664

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)