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	hartrees
Energy at 0K	-186.365614
Energy at 298.15K
HF Energy	-185.695883
Nuclear repulsion energy	89.228830

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	3460	3268	0.00	530.53	0.31	0.47
2	A_g	2153	2033	0.00	3.55	0.75	0.86
3	A_g	1151	1087	0.00	31.41	0.65	0.79
4	A_g	925	874	0.00	22.95	0.23	0.38
5	A_g	300	283	0.00	2.29	0.27	0.42
6	A_u	966	912	122.71	0.00	0.75	0.86
7	A_u	255	241	0.15	0.00	0.75	0.86
8	B_g	682	644	0.00	3.86	0.75	0.86
9	B_u	3461	3269	21.83	0.00	0.31	0.47
10	B_u	1720	1625	76.75	0.00	0.00	0.00
11	B_u	1122	1060	377.61	0.00	0.00	0.00
12	B_u	290	274	5.93	0.00	0.28	0.43

Atom	x (Å)	y (Å)
C1	0.238	-0.603
C2	-0.238	0.603
N3	0.238	-1.856
N4	-0.238	1.856
H5	1.192	-2.233
H6	-1.192	2.233

	C1	C2	N3	N4	H5	H6
C1		1.2972	1.2533	2.5054	1.8879	3.1761
C2	1.2972		2.5054	1.2533	3.1761	1.8879
N3	1.2533	2.5054		3.7434	1.0247	4.3321
N4	2.5054	1.2533	3.7434		4.3321	1.0247
H5	1.8879	3.1761	1.0247	4.3321		5.0617
H6	3.1761	1.8879	4.3321	1.0247	5.0617

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	158.425		C1	N3	H5	111.549
C2	C1	N3	158.425		C2	N4	H6	111.549

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: MP2/6-31G(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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