%chk=000253442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253442

0 1
O 1.157063 -1.179838 2.673425
O -0.612356 1.861095 0.473446
O -3.967123 -1.248165 -0.638340
N -2.342046 0.385593 -0.124956
N -2.117706 -1.990245 0.473634
C 0.976543 -0.139862 1.682198
C 2.093748 -0.174898 0.658399
C -0.357869 -0.418981 1.056617
C 2.415797 0.993013 -0.045226
C 2.791877 -1.360029 0.393584
C -1.124875 0.610154 0.456650
C 4.156239 -0.199711 -1.245485
C 3.443161 0.982489 -0.990288
C 3.820811 -1.372718 -0.548358
C -0.914060 -1.709557 1.037290
C 5.256904 -0.223930 -2.255726
C -2.782945 -0.922554 -0.089418
C -1.414911 2.945138 -0.140535
C -0.534481 4.158906 0.058471
C -4.750812 -0.155210 -1.264560
C -5.979538 -0.889027 -1.753660
H 0.958244 0.836414 2.227653
H 1.849226 1.908364 0.136933
H 2.520644 -2.274034 0.924854
H 3.687596 1.893383 -1.531744
H 4.360364 -2.296160 -0.747851
H -0.378360 -2.554300 1.500950
H 2.037710 -1.097133 3.089517
H 4.982625 -0.845382 -3.121081
H 5.503369 0.773567 -2.641141
H 6.181417 -0.643863 -1.835018
H -1.581340 2.683947 -1.199263
H -2.375314 2.998825 0.399431
H -1.033163 5.070266 -0.294501
H -0.282868 4.303894 1.118976
H 0.416588 4.064647 -0.483204
H -4.962282 0.599474 -0.488737
H -4.140780 0.280482 -2.073397
H -6.679458 -0.207442 -2.250577
H -5.715723 -1.685602 -2.464882
H -6.511216 -1.379509 -0.924876


%chk=000253442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253442

0 1
O 1.260271 -1.207487 2.787983
O -0.591937 1.776393 0.400257
O -4.039026 -1.337784 -0.469319
N -2.343883 0.252292 -0.053273
N -2.215774 -2.040469 0.759914
C 0.988727 -0.160541 1.777917
C 2.092926 -0.125420 0.716668
C -0.379831 -0.473423 1.202200
C 2.809888 1.065726 0.462251
C 2.434499 -1.296373 -0.008682
C -1.134042 0.508675 0.502694
C 4.194939 -0.073880 -1.227262
C 3.847207 1.090393 -0.498456
C 3.470386 -1.268470 -0.962882
C -0.998041 -1.737533 1.307431
C 5.300457 -0.052537 -2.268863
C -2.821005 -1.020324 0.094719
C -1.374276 2.804334 -0.346730
C -0.540005 4.081029 -0.319516
C -4.756047 -0.259910 -1.205074
C -6.050939 -0.885353 -1.714479
H 0.948523 0.835417 2.266769
H 2.549240 1.979578 1.010172
H 1.884430 -2.225396 0.180112
H 4.393427 2.023317 -0.683385
H 3.723737 -2.182522 -1.514610
H -0.502561 -2.533014 1.868680
H 2.216485 -1.150542 3.039297
H 4.895432 -0.220980 -3.285000
H 5.831151 0.914992 -2.276455
H 6.046320 -0.847420 -2.082331
H -1.548371 2.433911 -1.372967
H -2.355802 2.926907 0.146122
H -1.064734 4.881691 -0.872092
H -0.376036 4.424403 0.716392
H 0.442577 3.916429 -0.794117
H -4.937910 0.583999 -0.514097
H -4.110153 0.102916 -2.026047
H -6.636611 -0.133410 -2.274606
H -5.838286 -1.734934 -2.385386
H -6.664654 -1.253180 -0.874744


