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	hartrees
Energy at 0K	-186.804533
Energy at 298.15K
HF Energy	-186.804533
Nuclear repulsion energy	89.855252

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	3405	3287	0.00	729.66	0.30	0.46
2	A_g	2175	2099	0.00	26.20	0.41	0.58
3	A_g	1168	1127	0.00	29.19	0.50	0.66
4	A_g	941	908	0.00	50.57	0.16	0.27
5	A_g	313	302	0.00	2.61	0.56	0.72
6	A_u	961	928	118.24	0.00	0.00	0.00
7	A_u	254	245	0.00	0.00	0.00	0.00
8	B_g	676	653	0.00	3.47	0.75	0.86
9	B_u	3406	3287	11.57	0.00	0.00	0.00
10	B_u	1766	1704	186.22	0.00	0.00	0.00
11	B_u	1136	1096	369.67	0.00	0.00	0.00
12	B_u	283	273	6.19	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.229	-0.605
C2	-0.229	0.605
N3	0.229	-1.844
N4	-0.229	1.844
H5	1.171	-2.244
H6	-1.171	2.244

	C1	C2	N3	N4	H5	H6
C1		1.2930	1.2391	2.4907	1.8902	3.1735
C2	1.2930		2.4907	1.2391	3.1735	1.8902
N3	1.2391	2.4907		3.7156	1.0230	4.3202
N4	2.4907	1.2391	3.7156		4.3202	1.0230
H5	1.8902	3.1735	1.0230	4.3202		5.0612
H6	3.1735	1.8902	4.3202	1.0230	5.0612

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	159.241		C1	N3	H5	113.014
C2	C1	N3	159.241		C2	N4	H6	113.014

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B3PW91/aug-cc-pVTZ

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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Number	Element	Mulliken
1	C	0.255
2	C	0.255
3	N	-0.398
4	N	-0.398
5	H	0.143
6	H	0.143

	x	y	z
x	4.863	-1.909	0.000
y	-1.909	11.514	0.000
z	0.000	0.000	3.743

<r²>	80.088
(<r²>)^1/2	8.949