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	hartrees
Energy at 0K	-132.394449
Energy at 298.15K	-132.397055
HF Energy	-131.889899
Nuclear repulsion energy	59.593098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3365	19.73
2	A'	3235	3064	9.25
3	A'	2169	2054	279.59
4	A'	1471	1393	1.80
5	A'	1173	1112	22.64
6	A'	1071	1015	185.30
7	A'	757	717	78.29
8	A'	489	464	20.67
9	A"	3333	3157	0.91
10	A"	1026	971	0.02
11	A"	944	895	51.08
12	A"	425	403	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.029	-1.250	0.000
C2	0.000	0.058	0.000
N3	-0.082	1.283	0.000
H4	-0.034	-1.793	0.933
H5	-0.034	-1.793	-0.933
H6	0.817	1.759	0.000

	C1	C2	N3	H4	H5	H6
C1		1.3086	2.5333	1.0796	1.0796	3.1257
C2	1.3086		1.2272	2.0734	2.0734	1.8869
N3	2.5333	1.2272		3.2145	3.2145	1.0178
H4	1.0796	2.0734	3.2145		1.8662	3.7700
H5	1.0796	2.0734	3.2145	1.8662		3.7700
H6	3.1257	1.8869	1.0178	3.7700	3.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.895	C2	C1	H4	120.196
C2	C1	H5	120.196	C2	N3	H6	114.060
H4	C1	H5	119.604

All results from a given calculation for H₂CCNH (Ethenimine)

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

States and conformations

All results from a given calculation for H₂CCNH (Ethenimine)