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	hartrees
Energy at 0K	-132.547664
Energy at 298.15K	-132.550224
HF Energy	-132.547664
Nuclear repulsion energy	59.482642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3499	3335	10.09
2	A'	3217	3066	8.76
3	A'	2174	2072	339.64
4	A'	1460	1391	3.67
5	A'	1189	1134	26.19
6	A'	1049	1000	203.76
7	A'	713	680	107.53
8	A'	480	457	21.84
9	A"	3306	3151	0.67
10	A"	1010	963	1.41
11	A"	917	874	60.54
12	A"	421	401	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.025	-1.252	0.000
C2	0.000	0.059	0.000
N3	-0.137	1.278	0.000
H4	0.041	-1.801	0.935
H5	0.041	-1.801	-0.935
H6	0.730	1.817	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3112	2.5353	1.0841	1.0841	3.1494
C2	1.3112		1.2268	2.0819	2.0819	1.9039
N3	2.5353	1.2268		3.2226	3.2226	1.0213
H4	1.0841	2.0819	3.2226		1.8695	3.8000
H5	1.0841	2.0819	3.2226	1.8695		3.8000
H6	3.1494	1.9039	1.0213	3.8000	3.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.658	C2	C1	H4	120.425
C2	C1	H5	120.425	C2	N3	H6	115.452
H4	C1	H5	119.145

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: PBE1PBE/6-31G**

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	-0.543
2	C	0.448
3	N	-0.673
4	H	0.210
5	H	0.210
6	H	0.348

	x	y	z	Total
	1.598	-0.444	0.000	1.658
CHELPG
AIM
ESP

	x	y	z
x	1.982	0.085	0.000
y	0.085	7.099	0.000
z	0.000	0.000	2.432

<r²>	43.848
(<r²>)^1/2	6.622

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)