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	hartrees
Energy at 0K	-132.769636
Energy at 298.15K	-132.772207
HF Energy	-132.769636
Nuclear repulsion energy	59.752910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3468	3353	16.52
2	A'	3163	3057	8.01
3	A'	2122	2051	390.94
4	A'	1439	1391	4.98
5	A'	1166	1127	19.16
6	A'	1032	998	213.92
7	A'	714	690	90.98
8	A'	487	470	20.55
9	A"	3248	3139	0.69
10	A"	1002	969	0.13
11	A"	900	870	52.61
12	A"	422	408	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.097	-1.244	0.000
C2	0.000	0.059	0.000
N3	-0.211	1.260	0.000
H4	0.145	-1.787	0.931
H5	0.145	-1.787	-0.931
H6	0.608	1.865	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3063	2.5225	1.0795	1.0795	3.1506
C2	1.3063		1.2193	2.0730	2.0730	1.9056
N3	2.5225	1.2193		3.2063	3.2063	1.0180
H4	1.0795	2.0730	3.2063		1.8629	3.7976
H5	1.0795	2.0730	3.2063	1.8629		3.7976
H6	3.1506	1.9056	1.0180	3.7976	3.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.271	C2	C1	H4	120.362
C2	C1	H5	120.362	C2	N3	H6	116.513
H4	C1	H5	119.269

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3LYP/cc-pVTZ

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	-0.438
2	C	0.161
3	N	-0.162
4	H	0.134
5	H	0.134
6	H	0.172

	x	y	z	Total
	1.429	-0.244	0.000	1.449
CHELPG
AIM
ESP

	x	y	z
x	2.979	-0.217	0.000
y	-0.217	7.646	0.000
z	0.000	0.000	3.111

<r²>	43.856
(<r²>)^1/2	6.622

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3LYP/cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)