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	hartrees
Energy at 0K	-132.005833
Energy at 298.15K	-132.008325
HF Energy	-132.005833
Nuclear repulsion energy	59.654535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3374	25.11
2	A'	3102	3064	18.64
3	A'	2150	2123	348.29
4	A'	1365	1348	8.56
5	A'	1151	1137	21.59
6	A'	959	947	213.14
7	A'	656	648	109.68
8	A'	485	479	27.00
9	A"	3191	3151	5.83
10	A"	942	930	2.73
11	A"	865	855	58.07
12	A"	414	409	1.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.103	-1.242	0.000
C2	0.000	0.058	0.000
N3	-0.217	1.257	0.000
H4	0.153	-1.793	0.940
H5	0.153	-1.793	-0.940
H6	0.595	1.887	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3048	2.5202	1.0905	1.0905	3.1674
C2	1.3048		1.2186	2.0819	2.0819	1.9226
N3	2.5202	1.2186		3.2133	3.2133	1.0274
H4	1.0905	2.0819	3.2133		1.8798	3.8234
H5	1.0905	2.0819	3.2133	1.8798		3.8234
H6	3.1674	1.9226	1.0274	3.8234	3.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.269	C2	C1	H4	120.464
C2	C1	H5	120.464	C2	N3	H6	117.495
H4	C1	H5	119.068

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: LSDA/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	-0.324
2	C	0.142
3	N	-0.398
4	H	0.175
5	H	0.175
6	H	0.230

	x	y	z	Total
	1.507	-0.111	0.000	1.511
CHELPG
AIM
ESP

	x	y	z
x	2.521	-0.260	0.000
y	-0.260	7.473	0.000
z	0.000	0.000	2.738

<r²>	43.808
(<r²>)^1/2	6.619

All results from a given calculation for H2CCNH (Ethenimine)

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

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)