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	hartrees
Energy at 0K	-132.689128
Energy at 298.15K	-132.691685
HF Energy	-132.689128
Nuclear repulsion energy	59.653770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3491	3361	8.11
2	A'	3169	3051	5.63
3	A'	2145	2065	368.87
4	A'	1439	1386	5.45
5	A'	1172	1128	27.29
6	A'	1042	1003	216.56
7	A'	692	666	110.68
8	A'	486	468	23.31
9	A"	3257	3135	0.14
10	A"	1007	969	1.33
11	A"	912	878	62.73
12	A"	424	408	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.089	-1.246	0.000
C2	0.000	0.059	0.000
N3	-0.203	1.263	0.000
H4	0.133	-1.794	0.933
H5	0.133	-1.794	-0.933
H6	0.622	1.861	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3081	2.5261	1.0833	1.0833	3.1524
C2	1.3081		1.2211	2.0792	2.0792	1.9063
N3	2.5261	1.2211		3.2141	3.2141	1.0191
H4	1.0833	2.0792	3.2141		1.8668	3.8038
H5	1.0833	2.0792	3.2141	1.8668		3.8038
H6	3.1524	1.9063	1.0191	3.8038	3.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.319	C2	C1	H4	120.498
C2	C1	H5	120.498	C2	N3	H6	116.344
H4	C1	H5	118.999

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: B3PW91/6-311G*

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	-0.524
2	C	0.287
3	N	-0.589
4	H	0.253
5	H	0.253
6	H	0.321

	x	y	z	Total
	1.598	-0.255	0.000	1.618
CHELPG
AIM
ESP

	x	y	z
x	2.417	-0.204	0.000
y	-0.204	7.350	0.000
z	0.000	0.000	2.615

<r²>	43.832
(<r²>)^1/2	6.621

All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)