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	hartrees
Energy at 0K	-132.686392
Energy at 298.15K	-132.688928
HF Energy	-132.686392
Nuclear repulsion energy	58.763952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3489	3354	14.15
2	A'	3187	3063	8.34
3	A'	2112	2030	345.29
4	A'	1446	1390	15.73
5	A'	1145	1101	9.29
6	A'	929	893	333.64
7	A'	798	767	165.24
8	A'	461	444	30.16
9	A"	3292	3165	0.60
10	A"	1021	981	1.60
11	A"	901	866	77.67
12	A"	414	398	2.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.316	-1.233	0.000
C2	0.000	0.057	0.000
N3	-0.428	1.224	0.000
H4	0.446	-1.772	0.933
H5	0.446	-1.772	-0.933
H6	0.206	2.031	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3277	2.5672	1.0853	1.0853	3.2657
C2	1.3277		1.2435	2.1005	2.1005	1.9850
N3	2.5672	1.2435		3.2572	3.2572	1.0259
H4	1.0853	2.1005	3.2572		1.8663	3.9226
H5	1.0853	2.1005	3.2572	1.8663		3.9226
H6	3.2657	1.9850	1.0259	3.9226	3.9226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.647	C2	C1	H4	120.704
C2	C1	H5	120.704	C2	N3	H6	121.721
H4	C1	H5	118.591

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/SDD

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	-0.581
2	C	0.102
3	N	-0.283
4	H	0.238
5	H	0.238
6	H	0.285

	x	y	z	Total
	1.777	0.162	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	2.371	-1.298	0.000
y	-1.298	7.410	0.000
z	0.000	0.000	2.346

<r²>	45.088
(<r²>)^1/2	6.715

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)