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	hartrees
Energy at 0K	-132.672211
Energy at 298.15K	-132.674767
HF Energy	-132.672211
Nuclear repulsion energy	59.516587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3504	3323	9.78
2	A'	3221	3055	7.86
3	A'	2172	2060	340.64
4	A'	1465	1389	3.61
5	A'	1190	1128	26.72
6	A'	1052	998	204.11
7	A'	716	679	107.30
8	A'	479	455	21.62
9	A"	3310	3139	0.48
10	A"	1015	962	1.37
11	A"	918	871	60.64
12	A"	422	400	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.037	-1.251	0.000
C2	0.000	0.059	0.000
N3	-0.150	1.276	0.000
H4	0.059	-1.799	0.934
H5	0.059	-1.799	-0.934
H6	0.710	1.824	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3107	2.5342	1.0828	1.0828	3.1480
C2	1.3107		1.2263	2.0802	2.0802	1.9026
N3	2.5342	1.2263		3.2205	3.2205	1.0202
H4	1.0828	2.0802	3.2205		1.8675	3.7976
H5	1.0828	2.0802	3.2205	1.8675		3.7976
H6	3.1480	1.9026	1.0202	3.7976	3.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.588	C2	C1	H4	120.416
C2	C1	H5	120.416	C2	N3	H6	115.448
H4	C1	H5	119.164

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-31G*

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	-0.542
2	C	0.456
3	N	-0.682
4	H	0.210
5	H	0.210
6	H	0.348

	x	y	z	Total
	1.604	-0.437	0.000	1.663
CHELPG
AIM
ESP

	x	y	z
x	1.975	0.031	0.000
y	0.031	7.090	0.000
z	0.000	0.000	2.425

<r²>	43.792
(<r²>)^1/2	6.618

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: mPW1PW91/6-31G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)