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	hartrees
Energy at 0K	-132.022711
Energy at 298.15K	-132.025201
HF Energy	-132.022711
Nuclear repulsion energy	59.728449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3382	27.42
2	A'	3101	3071	19.67
3	A'	2139	2118	371.23
4	A'	1365	1352	7.92
5	A'	1150	1139	18.70
6	A'	960	951	218.04
7	A'	656	649	97.62
8	A'	485	480	24.97
9	A"	3189	3158	6.40
10	A"	940	930	1.06
11	A"	862	854	53.40
12	A"	410	406	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.142	-1.237	0.000
C2	0.000	0.058	0.000
N3	-0.257	1.248	0.000
H4	0.210	-1.784	0.939
H5	0.210	-1.784	-0.939
H6	0.529	1.908	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3033	2.5168	1.0891	1.0891	3.1685
C2	1.3033		1.2170	2.0786	2.0786	1.9234
N3	2.5168	1.2170		3.2081	3.2081	1.0259
H4	1.0891	2.0786	3.2081		1.8788	3.8226
H5	1.0891	2.0786	3.2081	1.8788		3.8226
H6	3.1685	1.9234	1.0259	3.8226	3.8226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.058	C2	C1	H4	120.388
C2	C1	H5	120.388	C2	N3	H6	117.833
H4	C1	H5	119.216

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: SVWN/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	-0.474
2	C	0.151
3	N	-0.142
4	H	0.144
5	H	0.144
6	H	0.177

	x	y	z	Total
	1.413	-0.087	0.000	1.416
CHELPG
AIM
ESP

	x	y	z
x	3.045	-0.409	0.000
y	-0.409	7.747	0.000
z	0.000	0.000	3.180

<r²>	43.790
(<r²>)^1/2	6.617

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)