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	hartrees
Energy at 0K	-132.400305
Energy at 298.15K	-132.402894
HF Energy	-131.889570
Nuclear repulsion energy	59.486134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3544	3358	17.09
2	A'	3227	3057	8.69
3	A'	2143	2030	281.49
4	A'	1464	1387	2.22
5	A'	1162	1101	22.68
6	A'	1068	1012	191.20
7	A'	743	704	78.67
8	A'	485	460	20.02
9	A"	3324	3149	0.69
10	A"	1021	967	0.01
11	A"	932	883	50.63
12	A"	422	399	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.026	-1.253	0.000
C2	0.000	0.058	0.000
N3	-0.140	1.280	0.000
H4	0.044	-1.796	0.934
H5	0.044	-1.796	-0.934
H6	0.735	1.800	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3110	2.5385	1.0800	1.0800	3.1347
C2	1.3110		1.2302	2.0757	2.0757	1.8914
N3	2.5385	1.2302		3.2195	3.2195	1.0180
H4	1.0800	2.0757	3.2195		1.8673	3.7789
H5	1.0800	2.0757	3.2195	1.8673		3.7789
H6	3.1347	1.8914	1.0180	3.7789	3.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.604	C2	C1	H4	120.173
C2	C1	H5	120.173	C2	N3	H6	114.218
H4	C1	H5	119.648

All results from a given calculation for H₂CCNH (Ethenimine)

using model chemistry: QCISD/6-31G(2df,p)

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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All results from a given calculation for H2CCNH (Ethenimine)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)