%chk=000258475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258475

0 1
O -4.859192 0.001378 -0.747098
O 4.858858 -0.001399 -0.748799
O -3.545035 -3.397726 0.615067
O 3.545164 3.397747 0.613767
O -3.543561 3.399636 0.615598
O 3.543553 -3.399678 0.614301
O -3.929636 -2.652661 -1.381218
O 3.929139 2.652635 -1.382622
O -3.928282 2.655137 -1.380875
O 3.927844 -2.655062 -1.382211
N -3.549028 -2.528195 -0.234123
N 3.548844 2.528209 -0.235419
N -3.547791 2.530293 -0.233781
N 3.547648 -2.530271 -0.235016
C 0.000350 0.000014 2.198932
C -1.241334 0.000378 1.348300
C 1.241739 -0.000356 1.347866
C -1.825823 1.211066 0.952323
C 1.826100 -1.211046 0.951713
C -1.826422 -1.209976 0.952176
C 1.826669 1.209989 0.951504
C -2.985373 -1.212002 0.165189
C 2.985346 1.212015 0.164111
C -2.984778 1.213762 0.165336
C 2.984774 -1.213749 0.164315
C -3.602181 0.001056 -0.210848
C 3.602036 -0.001043 -0.212110
C -4.950633 0.001460 -2.207654
C 4.949787 -0.001463 -2.209383
H 0.000731 0.874784 2.889850
H 0.000207 -0.874752 2.889856
H -1.388849 2.168337 1.264171
H 1.389247 -2.168313 1.263740
H -1.389921 -2.167500 1.263911
H 1.390266 2.167515 1.263369
H -6.040380 0.001760 -2.346382
H -4.495408 0.917312 -2.602953
H -4.495911 -0.914619 -2.603008
H 4.494943 0.914627 -2.604573
H 6.039486 -0.001791 -2.348494
H 4.494403 -0.917304 -2.604526


%chk=000258475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258475

0 1
O -4.904913 0.001438 -0.856610
O 4.904397 -0.001457 -0.858409
O -3.444655 -3.476171 0.708116
O 3.445595 3.475948 0.707068
O -3.444299 3.477770 0.709521
O 3.444734 -3.477640 0.708637
O -4.184633 -2.681948 -1.296780
O 4.184853 2.681591 -1.298044
O -4.184634 2.684292 -1.295548
O 4.184283 -2.684345 -1.296791
N -3.601115 -2.533107 -0.159213
N 3.600827 2.533076 -0.160692
N -3.600180 2.535236 -0.158488
N 3.599913 -2.535281 -0.159687
C 0.000311 0.000029 2.235968
C -1.271716 0.000401 1.388592
C 1.272020 -0.000373 1.388115
C -1.877773 1.210142 0.987512
C 1.877930 -1.210128 0.986857
C -1.878218 -1.208991 0.987132
C 1.878363 1.209004 0.986372
C -3.031037 -1.203905 0.177327
C 3.030877 1.203887 0.176135
C -3.030598 1.205731 0.177707
C 3.030447 -1.205751 0.176612
C -3.658734 0.001100 -0.268495
C 3.658416 -0.001132 -0.269871
C -5.050911 0.001935 -2.344305
C 5.049918 -0.001797 -2.346152
H 0.000696 0.888185 2.892911
H 0.000169 -0.888103 2.892943
H -1.481966 2.177669 1.312882
H 1.482254 -2.177642 1.312423
H -1.482768 -2.176765 1.312203
H 1.483029 2.176790 1.311548
H -6.138214 0.002196 -2.502343
H -4.600080 0.919021 -2.752937
H -4.600429 -0.915064 -2.753514
H 4.599354 0.915271 -2.755115
H 6.137171 -0.002094 -2.504538
H 4.598914 -0.918813 -2.754747


