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	hartrees
Energy at 0K	-132.680832
Energy at 298.15K	-132.683327
HF Energy	-132.680832
Nuclear repulsion energy	59.458085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3402	3358	10.81
2	A'	3109	3069	6.48
3	A'	2072	2045	376.85
4	A'	1400	1382	5.70
5	A'	1139	1124	16.03
6	A'	1009	996	195.53
7	A'	666	657	88.27
8	A'	466	460	19.18
9	A"	3193	3152	0.29
10	A"	972	960	0.03
11	A"	876	865	48.87
12	A"	408	403	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.230	-1.233	0.000
C2	0.000	0.060	0.000
N3	-0.349	1.235	0.000
H4	0.335	-1.771	0.935
H5	0.335	-1.771	-0.935
H6	0.398	1.932	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3126	2.5347	1.0841	1.0841	3.1692
C2	1.3126		1.2262	2.0829	2.0829	1.9142
N3	2.5347	1.2262		3.2218	3.2218	1.0220
H4	1.0841	2.0829	3.2218		1.8698	3.8199
H5	1.0841	2.0829	3.2218	1.8698		3.8199
H6	3.1692	1.9142	1.0220	3.8199	3.8199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.515	C2	C1	H4	120.406
C2	C1	H5	120.406	C2	N3	H6	116.443
H4	C1	H5	119.176

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.276
2	C	0.644
3	N	-0.879
4	H	0.156
5	H	0.156
6	H	0.199

	x	y	z	Total
	1.389	-0.146	0.000	1.397
CHELPG
AIM
ESP

	x	y	z
x	4.094	-0.742	0.000
y	-0.742	8.183	0.000
z	0.000	0.000	3.680

<r²>	44.257
(<r²>)^1/2	6.653

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)