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	hartrees
Energy at 0K	-132.679227
Energy at 298.15K	-132.681712
HF Energy	-132.679227
Nuclear repulsion energy	59.428321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3391	3342	7.53
2	A'	3115	3070	6.35
3	A'	2084	2054	355.04
4	A'	1404	1384	6.45
5	A'	1143	1127	16.28
6	A'	993	979	203.41
7	A'	670	660	103.57
8	A'	456	449	20.04
9	A"	3199	3153	0.41
10	A"	977	963	0.32
11	A"	878	865	58.32
12	A"	405	399	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.238	-1.231	0.000
C2	0.000	0.060	0.000
N3	-0.357	1.233	0.000
H4	0.345	-1.771	0.935
H5	0.345	-1.771	-0.935
H6	0.386	1.936	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3130	2.5356	1.0853	1.0853	3.1707
C2	1.3130		1.2266	2.0849	2.0849	1.9152
N3	2.5356	1.2266		3.2241	3.2241	1.0229
H4	1.0853	2.0849	3.2241		1.8710	3.8232
H5	1.0853	2.0849	3.2241	1.8710		3.8232
H6	3.1707	1.9152	1.0229	3.8232	3.8232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.484	C2	C1	H4	120.460
C2	C1	H5	120.460	C2	N3	H6	116.430
H4	C1	H5	119.073

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B97D3/TZVP

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	-0.451
2	C	0.177
3	N	-0.242
4	H	0.149
5	H	0.149
6	H	0.218

	x	y	z	Total
	1.537	-0.069	0.000	1.539
CHELPG
AIM
ESP

	x	y	z
x	3.149	-0.845	0.000
y	-0.845	7.880	0.000
z	0.000	0.000	2.882

<r²>	44.235
(<r²>)^1/2	6.651

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)