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	hartrees
Energy at 0K	-186.737495
Energy at 298.15K
HF Energy	-186.502756
Nuclear repulsion energy	89.563949

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	3419	3419	0.00	715.06	0.30	0.47
2	A_g	2117	2117	0.00	22.72	0.40	0.57
3	A_g	1174	1174	0.00	25.53	0.67	0.80
4	A_g	927	927	0.00	42.84	0.19	0.31
5	A_g	309	309	0.00	4.84	0.29	0.44
6	A_u	961	961	121.29	0.00	0.00	0.00
7	A_u	252	252	0.00	0.00	0.00	0.00
8	B_g	678	678	0.00	5.53	0.75	0.86
9	B_u	3420	3420	14.24	0.00	0.30	0.47
10	B_u	1729	1729	143.23	0.00	0.00	0.00
11	B_u	1135	1135	412.04	0.00	0.00	0.00
12	B_u	281	281	6.44	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.250	-0.600
C2	-0.250	0.600
N3	0.250	-1.845
N4	-0.250	1.845
H5	1.192	-2.239
H6	-1.192	2.239

	C1	C2	N3	N4	H5	H6
C1		1.2989	1.2452	2.4948	1.8914	3.1841
C2	1.2989		2.4948	1.2452	3.1841	1.8914
N3	1.2452	2.4948		3.7231	1.0217	4.3312
N4	2.4948	1.2452	3.7231		4.3312	1.0217
H5	1.8914	3.1841	1.0217	4.3312		5.0740
H6	3.1841	1.8914	4.3312	1.0217	5.0740

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	157.390		C1	N3	H5	112.727
C2	C1	N3	157.390		C2	N4	H6	112.727

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.043
2	C	0.043
3	N	-0.231
4	N	-0.231
5	H	0.187
6	H	0.187

	x	y	z
x	4.484	-2.103	0.000
y	-2.103	11.042	0.000
z	0.000	0.000	3.184

<r²>	80.473
(<r²>)^1/2	8.971