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	hartrees
Energy at 0K	-186.463774
Energy at 298.15K
HF Energy	-185.751536
Nuclear repulsion energy	89.473363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3460	3460	0.00
2	A_g	2159	2159	0.00
3	A_g	1193	1193	0.00
4	A_g	929	929	0.00
5	A_g	294	294	0.00
6	A_u	964	964	121.36
7	A_u	247	247	0.06
8	B_g	663	663	0.00
9	B_u	3461	3461	17.07
10	B_u	1739	1739	154.15
11	B_u	1169	1169	389.43
12	B_u	283	283	5.73

Atom	x (Å)	y (Å)
C1	0.242	-0.604
C2	-0.242	0.604
N3	0.242	-1.851
N4	-0.242	1.851
H5	1.190	-2.226
H6	-1.190	2.226

	C1	C2	N3	N4	H5	H6
C1		1.3021	1.2462	2.5024	1.8784	3.1721
C2	1.3021		2.5024	1.2462	3.1721	1.8784
N3	1.2462	2.5024		3.7329	1.0199	4.3208
N4	2.5024	1.2462	3.7329		4.3208	1.0199
H5	1.8784	3.1721	1.0199	4.3208		5.0483
H6	3.1721	1.8784	4.3208	1.0199	5.0483

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.198		C1	N3	H5	111.583
C2	C1	N3	158.198		C2	N4	H6	111.583

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: QCISD/Def2TZVPP

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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