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	hartrees
Energy at 0K	-132.660338
Energy at 298.15K	-132.662883
HF Energy	-132.660338
Nuclear repulsion energy	59.464730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3484	3349	16.97
2	A'	3203	3078	11.05
3	A'	2171	2087	357.60
4	A'	1417	1362	2.72
5	A'	1177	1131	26.28
6	A'	1043	1002	175.77
7	A'	692	665	89.54
8	A'	481	463	20.79
9	A"	3308	3179	1.87
10	A"	979	941	0.43
11	A"	902	867	49.74
12	A"	415	399	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.021	-1.252	0.000
C2	0.000	0.060	0.000
N3	-0.136	1.278	0.000
H4	0.038	-1.797	0.941
H5	0.038	-1.797	-0.941
H6	0.747	1.798	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3125	2.5356	1.0876	1.0876	3.1351
C2	1.3125		1.2259	2.0823	2.0823	1.8915
N3	2.5356	1.2259		3.2208	3.2208	1.0249
H4	1.0876	2.0823	3.2208		1.8825	3.7827
H5	1.0876	2.0823	3.2208	1.8825		3.7827
H6	3.1351	1.8915	1.0249	3.7827	3.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.561	C2	C1	H4	120.062
C2	C1	H5	120.062	C2	N3	H6	114.063
H4	C1	H5	119.869

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B1B95/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	-0.089
2	C	0.005
3	N	-0.191
4	H	0.071
5	H	0.071
6	H	0.133

	x	y	z	Total
	1.458	-0.288	0.000	1.486
CHELPG
AIM
ESP

	x	y	z
x	2.218	0.122	0.000
y	0.122	7.191	0.000
z	0.000	0.000	2.637

<r²>	43.839
(<r²>)^1/2	6.621

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)