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	hartrees
Energy at 0K	-132.598783
Energy at 298.15K	-132.601355
HF Energy	-132.598783
Nuclear repulsion energy	59.736464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3374	20.45
2	A'	3185	3059	9.81
3	A'	2161	2075	387.15
4	A'	1430	1374	5.47
5	A'	1176	1129	21.80
6	A'	1025	984	203.98
7	A'	712	683	104.59
8	A'	491	471	24.18
9	A"	3277	3147	1.29
10	A"	995	955	0.99
11	A"	905	869	57.80
12	A"	426	409	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.028	-1.247	0.000
C2	0.000	0.059	0.000
N3	-0.141	1.271	0.000
H4	0.046	-1.792	0.935
H5	0.046	-1.792	-0.935
H6	0.720	1.815	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3067	2.5234	1.0820	1.0820	3.1390
C2	1.3067		1.2195	2.0743	2.0743	1.8975
N3	2.5234	1.2195		3.2075	3.2075	1.0185
H4	1.0820	2.0743	3.2075		1.8692	3.7862
H5	1.0820	2.0743	3.2075	1.8692		3.7862
H6	3.1390	1.8975	1.0185	3.7862	3.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.627	C2	C1	H4	120.253
C2	C1	H5	120.253	C2	N3	H6	115.669
H4	C1	H5	119.490

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HSEh1PBE/6-311G**

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	-0.280
2	C	0.177
3	N	-0.431
4	H	0.159
5	H	0.159
6	H	0.216

	x	y	z	Total
	1.519	-0.332	0.000	1.555
CHELPG
AIM
ESP

	x	y	z
x	2.483	0.042	0.000
y	0.042	7.336	0.000
z	0.000	0.000	2.671

<r²>	43.713
(<r²>)^1/2	6.612

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)