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	hartrees
Energy at 0K	-186.762802
Energy at 298.15K
HF Energy	-186.762802
Nuclear repulsion energy	89.512541

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	3431	3286	0.00	693.88	0.30	0.46
2	A_g	2193	2100	0.00	31.62	0.38	0.55
3	A_g	1173	1124	0.00	27.27	0.55	0.71
4	A_g	945	906	0.00	51.30	0.16	0.28
5	A_g	317	304	0.00	2.97	0.55	0.71
6	A_u	960	920	120.24	0.00	0.00	0.00
7	A_u	252	241	0.01	0.00	0.00	0.00
8	B_g	682	653	0.00	3.85	0.75	0.86
9	B_u	3431	3287	15.94	0.00	0.30	0.46
10	B_u	1781	1706	198.19	0.00	0.00	0.00
11	B_u	1140	1092	361.50	0.00	0.00	0.00
12	B_u	283	271	6.15	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.247	-0.603
C2	-0.247	0.603
N3	0.247	-1.847
N4	-0.247	1.847
H5	1.196	-2.235
H6	-1.196	2.235

	C1	C2	N3	N4	H5	H6
C1		1.3029	1.2437	2.4987	1.8877	3.1833
C2	1.3029		2.4987	1.2437	3.1833	1.8877
N3	1.2437	2.4987		3.7259	1.0251	4.3288
N4	2.4987	1.2437	3.7259		4.3288	1.0251
H5	1.8877	3.1833	1.0251	4.3288		5.0692
H6	3.1833	1.8877	4.3288	1.0251	5.0692

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.715		C1	N3	H5	112.254
C2	C1	N3	157.715		C2	N4	H6	112.254

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B1B95/aug-cc-pVDZ

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	0.157
2	C	0.157
3	N	-0.222
4	N	-0.222
5	H	0.066
6	H	0.066

	x	y	z
x	4.886	-2.010	0.000
y	-2.010	11.425	0.000
z	0.000	0.000	3.666

<r²>	80.534
(<r²>)^1/2	8.974