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	hartrees
Energy at 0K	-132.639349
Energy at 298.15K	-132.641814
HF Energy	-132.639349
Nuclear repulsion energy	58.972274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3313	5.29
2	A'	3114	3087	5.45
3	A'	2090	2072	288.38
4	A'	1381	1370	3.64
5	A'	1139	1129	24.93
6	A'	1036	1027	165.16
7	A'	642	637	82.61
8	A'	454	450	16.01
9	A"	3211	3184	0.29
10	A"	959	951	0.02
11	A"	878	871	44.68
12	A"	399	396	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.219	-1.244	0.000
C2	0.000	0.061	0.000
N3	-0.343	1.250	0.000
H4	0.320	-1.786	0.945
H5	0.320	-1.786	-0.945
H6	0.445	1.917	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3230	2.5561	1.0945	1.0945	3.1691
C2	1.3230		1.2373	2.0993	2.0993	1.9090
N3	2.5561	1.2373		3.2479	3.2479	1.0329
H4	1.0945	2.0993	3.2479		1.8907	3.8240
H5	1.0945	2.0993	3.2479	1.8907		3.8240
H6	3.1691	1.9090	1.0329	3.8240	3.8240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.443	C2	C1	H4	120.252
C2	C1	H5	120.252	C2	N3	H6	114.162
H4	C1	H5	119.485

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B97D3/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	-0.060
2	C	-0.007
3	N	-0.165
4	H	0.056
5	H	0.056
6	H	0.119

	x	y	z	Total
	1.404	-0.027	0.000	1.404
CHELPG
AIM
ESP

	x	y	z
x	2.357	-0.662	0.000
y	-0.662	7.345	0.000
z	0.000	0.000	2.697

<r²>	44.411
(<r²>)^1/2	6.664

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)