%chk=000292351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292351

0 1
O -1.482829 1.340704 0.077382
O -0.060883 -2.251737 -1.323001
O 6.116103 1.061380 1.469968
O 4.441806 2.424016 1.348282
N 0.658414 -0.172923 -0.621889
N 4.960724 1.331615 1.185094
C -1.661381 -0.488189 -1.425037
C 2.007733 -0.496302 -0.285834
C -3.677421 0.493360 -0.164564
C -2.216678 0.516177 -0.436390
C -0.297007 -1.077952 -1.110206
C 2.794100 0.528738 0.276847
C 2.567576 -1.771428 -0.511010
C 4.126894 0.251551 0.595372
C -4.487480 -0.609810 -0.477034
C -4.248384 1.622425 0.449087
C 3.899698 -2.013951 -0.179412
C 4.696562 -1.007861 0.376426
C -5.852635 -0.580249 -0.189131
C -5.615736 1.650878 0.731821
C -6.417854 0.550723 0.412749
H -2.360501 -1.348162 -1.576617
H -1.614819 -0.000473 -2.428905
H 0.344469 0.790587 -0.380269
H 2.386350 1.527030 0.468698
H 1.954205 -2.573935 -0.944129
H -4.049440 -1.498004 -0.940323
H -3.609717 2.473774 0.705444
H 4.326591 -3.003587 -0.355868
H 5.742279 -1.192992 0.637966
H -6.478853 -1.438807 -0.430379
H -6.054957 2.529184 1.204774
H -7.485528 0.571621 0.635390


%chk=000292351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292351

0 1
O -1.425132 1.003721 0.399177
O 0.092618 -2.546404 -1.448363
O 6.097509 1.449245 1.309634
O 4.091194 2.468537 1.671960
N 0.631461 -0.557915 -0.306489
N 4.811046 1.498940 1.212770
C -1.744504 -1.100203 -0.826500
C 2.043150 -0.647237 -0.221546
C -3.705077 0.438467 -0.093034
C -2.235139 0.175109 -0.133677
C -0.243448 -1.461520 -0.882863
C 2.717221 0.420541 0.424172
C 2.795445 -1.738905 -0.744493
C 4.119364 0.374257 0.533028
C -4.656596 -0.441098 -0.681480
C -4.159352 1.617292 0.562649
C 4.201077 -1.746569 -0.614710
C 4.888445 -0.694897 0.023970
C -6.033254 -0.144611 -0.613883
C -5.534407 1.910130 0.629393
C -6.474909 1.029427 0.040912
H -2.248754 -1.974384 -0.370452
H -2.094709 -1.091472 -1.877779
H 0.163056 0.272796 0.112153
H 2.176727 1.277004 0.839255
H 2.266910 -2.555766 -1.239193
H -4.333370 -1.354168 -1.191747
H -3.413143 2.282021 1.009494
H 4.766364 -2.591526 -1.021027
H 5.975147 -0.684022 0.133935
H -6.761372 -0.824428 -1.068536
H -5.876763 2.818401 1.136130
H -7.545403 1.256639 0.092443


