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	hartrees
Energy at 0K	-132.739855
Energy at 298.15K	-132.742389
HF Energy	-132.739855
Nuclear repulsion energy	59.197625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3431	3319	10.68
2	A'	3168	3064	5.79
3	A'	2103	2035	377.08
4	A'	1430	1383	4.04
5	A'	1157	1119	21.38
6	A'	1043	1009	182.87
7	A'	707	684	87.72
8	A'	463	448	18.62
9	A"	3264	3157	0.13
10	A"	989	957	0.63
11	A"	896	867	48.58
12	A"	409	395	0.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.270	-1.230	0.000
C2	0.000	0.061	0.000
N3	-0.393	1.229	0.000
H4	0.393	-1.764	0.940
H5	0.393	-1.764	-0.940
H6	0.347	1.939	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3185	2.5471	1.0880	1.0880	3.1703
C2	1.3185		1.2330	2.0899	2.0899	1.9105
N3	2.5471	1.2330		3.2346	3.2346	1.0257
H4	1.0880	2.0899	3.2346		1.8794	3.8213
H5	1.0880	2.0899	3.2346	1.8794		3.8213
H6	3.1703	1.9105	1.0257	3.8213	3.8213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.217	C2	C1	H4	120.258
C2	C1	H5	120.258	C2	N3	H6	115.213
H4	C1	H5	119.470

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: TPSSh/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	0.603
2	C	0.066
3	N	-0.219
4	H	-0.265
5	H	-0.265
6	H	0.079

	x	y	z	Total
	1.438	-0.181	0.000	1.449
CHELPG
AIM
ESP

	x	y	z
x	4.099	-0.849	0.000
y	-0.849	8.136	0.000
z	0.000	0.000	3.698

<r²>	44.519
(<r²>)^1/2	6.672

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)