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	hartrees
Energy at 0K	-186.831004
Energy at 298.15K
HF Energy	-186.831004
Nuclear repulsion energy	89.982416

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	3435	3435	0.00	719.99	0.30	0.47
2	A_g	2207	2207	0.00	28.73	0.40	0.58
3	A_g	1176	1176	0.00	21.87	0.68	0.81
4	A_g	948	948	0.00	44.30	0.20	0.33
5	A_g	300	300	0.00	4.52	0.40	0.57
6	A_u	972	972	124.52	0.00	0.00	0.00
7	A_u	256	256	0.03	0.00	0.00	0.00
8	B_g	675	675	0.00	5.36	0.75	0.86
9	B_u	3435	3435	11.62	0.00	0.00	0.00
10	B_u	1781	1781	186.13	0.00	0.00	0.00
11	B_u	1146	1146	375.52	0.00	0.00	0.00
12	B_u	286	286	6.94	0.00	0.00	0.00

Atom	x (Å)	y (Å)
C1	0.216	-0.608
C2	-0.216	0.608
N3	0.216	-1.845
N4	-0.216	1.845
H5	1.157	-2.241
H6	-1.157	2.241

	C1	C2	N3	N4	H5	H6
C1		1.2902	1.2370	2.4905	1.8850	3.1625
C2	1.2902		2.4905	1.2370	3.1625	1.8850
N3	1.2370	2.4905		3.7150	1.0213	4.3105
N4	2.4905	1.2370	3.7150		4.3105	1.0213
H5	1.8850	3.1625	1.0213	4.3105		5.0444
H6	3.1625	1.8850	4.3105	1.0213	5.0444

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	N4	160.460		C1	N3	H5	112.825
C2	C1	N3	160.460		C2	N4	H6	112.825

All results from a given calculation for HNCCNH (Ethenediimine)

using model chemistry: mPW1PW91/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	0.011
2	C	0.011
3	N	-0.200
4	N	-0.200
5	H	0.189
6	H	0.189

	x	y	z
x	4.293	-1.936	0.000
y	-1.936	11.006	0.000
z	0.000	0.000	3.128

<r²>	79.890
(<r²>)^1/2	8.938