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	hartrees
Energy at 0K	-186.513132
Energy at 298.15K	-186.507688
HF Energy	-185.674955
Nuclear repulsion energy	90.561168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	3673	3461	0.00	626.47	0.32	0.48
2	A_g	2444	2303	0.00	84.27	0.35	0.51
3	A_g	1289	1214	0.00	15.51	0.73	0.85
4	A_g	1010	952	0.00	48.12	0.30	0.46
5	A_g	320	302	0.00	6.20	0.61	0.75
6	A_u	1056	995	177.30	0.00	0.00	0.00
7	A_u	275	260	0.97	0.00	0.00	0.00
8	B_g	702	662	0.00	15.48	0.75	0.86
9	B_u	3675	3463	19.33	0.00	0.00	0.00
10	B_u	1910	1800	315.10	0.00	0.00	0.00
11	B_u	1277	1203	406.28	0.00	0.00	0.00
12	B_u	313	295	11.74	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.311	-0.581
C2	-0.311	0.581
N3	0.311	-1.840
N4	-0.311	1.840
H5	1.268	-2.220
H6	-1.268	2.220

	C1	C2	N3	N4	H5	H6
C1		1.3179	1.2594	2.4997	1.8980	3.2154
C2	1.3179		2.4997	1.2594	3.2154	1.8980
N3	1.2594	2.4997		3.7326	1.0292	4.3566
N4	2.4997	1.2594	3.7326		4.3566	1.0292
H5	1.8980	3.2154	1.0292	4.3566		5.1132
H6	3.2154	1.8980	4.3566	1.0292	5.1132

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	166.394		C1	N3	H5	112.604
C2	C1	N3	166.394		C2	N4	H6	112.604

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: G2

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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