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	hartrees
Energy at 0K	-132.713855
Energy at 298.15K	-132.716416
HF Energy	-132.713855
Nuclear repulsion energy	59.776038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3496	3374	24.71
2	A'	3171	3061	10.81
3	A'	2130	2055	432.26
4	A'	1428	1379	5.15
5	A'	1169	1128	17.24
6	A'	1018	982	206.15
7	A'	705	681	89.28
8	A'	487	470	22.54
9	A"	3260	3146	1.55
10	A"	991	956	0.01
11	A"	893	862	51.43
12	A"	422	407	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	-1.243	0.000
C2	0.000	0.059	0.000
N3	-0.216	1.258	0.000
H4	0.152	-1.785	0.934
H5	0.152	-1.785	-0.934
H6	0.600	1.866	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3057	2.5212	1.0806	1.0806	3.1487
C2	1.3057		1.2187	2.0721	2.0721	1.9042
N3	2.5212	1.2187		3.2042	3.2042	1.0173
H4	1.0806	2.0721	3.2042		1.8671	3.7948
H5	1.0806	2.0721	3.2042	1.8671		3.7948
H6	3.1487	1.9042	1.0173	3.7948	3.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.243	C2	C1	H4	120.239
C2	C1	H5	120.239	C2	N3	H6	116.487
H4	C1	H5	119.513

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3PW91/aug-cc-pVTZ

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	-0.823
2	C	0.519
3	N	-0.424
4	H	0.277
5	H	0.277
6	H	0.174

	x	y	z	Total
	1.404	-0.311	0.000	1.439
CHELPG
AIM
ESP

	x	y	z
x	3.909	-0.281	0.000
y	-0.281	8.072	0.000
z	0.000	0.000	3.707

<r²>	43.820
(<r²>)^1/2	6.620

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)