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	hartrees
Energy at 0K	-131.908980
Energy at 298.15K	-131.911726
HF Energy	-131.908980
Nuclear repulsion energy	60.269845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3379	44.57
2	A'	3313	3010	7.54
3	A'	2251	2045	584.99
4	A'	1561	1419	1.88
5	A'	1244	1130	37.53
6	A'	1125	1022	199.21
7	A'	850	772	110.93
8	A'	533	484	26.54
9	A"	3408	3096	0.03
10	A"	1098	998	0.75
11	A"	975	885	68.70
12	A"	468	425	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.272	-1.208	0.000
C2	0.000	0.063	0.000
N3	0.179	1.257	0.000
H4	-0.384	-1.732	0.929
H5	-0.384	-1.732	-0.929
H6	1.145	1.536	0.000

	C1	C2	N3	H4	H5	H6
C1		1.2993	2.5051	1.0726	1.0726	3.0880
C2	1.2993		1.2071	2.0571	2.0571	1.8657
N3	2.5051	1.2071		3.1798	3.1798	1.0048
H4	1.0726	2.0571	3.1798		1.8581	3.7256
H5	1.0726	2.0571	3.1798	1.8581		3.7256
H6	3.0880	1.8657	1.0048	3.7256	3.7256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.459	C2	C1	H4	119.987
C2	C1	H5	119.987	C2	N3	H6	114.716
H4	C1	H5	120.026

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: HF/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	-0.241
2	C	0.233
3	N	-0.504
4	H	0.148
5	H	0.148
6	H	0.215

	x	y	z	Total
	1.454	-0.931	0.000	1.727
CHELPG
AIM
ESP

	x	y	z
x	2.708	1.161	0.000
y	1.161	6.854	0.000
z	0.000	0.000	2.581

<r²>	43.343
(<r²>)^1/2	6.584

All results from a given calculation for H2CCNH (Ethenimine)

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

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)