%chk=000234869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234869

0 1
O -1.276456 1.759937 -1.581492
O -1.839068 2.919079 0.242650
O -2.029704 -2.333479 0.905419
N -2.000529 -0.562846 -0.617403
N -2.172414 -2.837120 -1.329687
C -1.633134 0.444430 0.421736
C -0.233523 0.201027 1.030707
C 0.893638 0.131535 -0.003925
C 2.267892 0.104408 0.678855
C 3.400807 0.006978 -0.351393
C -2.708566 0.469634 1.510653
C -1.624282 1.840743 -0.247309
C 4.776887 -0.016070 0.329024
C 5.909262 -0.113412 -0.690791
C -2.062432 -1.931082 -0.247004
H -0.270206 -0.753009 1.607074
H -0.020975 0.987818 1.782176
H 0.836628 0.991882 -0.700808
H 0.773932 -0.773057 -0.632752
H 2.400779 1.011997 1.299111
H 2.322928 -0.751331 1.380212
H 3.273760 -0.903355 -0.968581
H 3.346274 0.858389 -1.056617
H -2.712496 -0.478285 2.077365
H -3.715965 0.588462 1.091644
H -2.547871 1.288873 2.223003
H -1.677894 -0.332532 -1.565913
H 4.907368 0.894350 0.946290
H 4.834250 -0.869307 1.033223
H 6.886885 -0.129722 -0.195974
H 5.905625 0.737515 -1.381310
H 5.832307 -1.025225 -1.293948
H -1.264514 2.646623 -2.030474
H -2.547721 -2.536262 -2.215665
H -2.429871 -3.786285 -1.079696


%chk=000234869-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234869

0 1
O -1.982986 1.668421 -1.744337
O -1.532477 2.916145 0.156043
O -1.755806 -2.403991 0.964602
N -1.943858 -0.637361 -0.579985
N -2.264613 -2.859740 -1.261418
C -1.655387 0.454793 0.375803
C -0.226353 0.321151 1.008978
C 0.933043 0.309875 -0.008056
C 2.298944 0.066969 0.673226
C 3.484048 0.066788 -0.318167
C -2.726274 0.511608 1.506811
C -1.708238 1.798100 -0.366695
C 4.848731 -0.183580 0.363552
C 6.030419 -0.175688 -0.630151
C -1.973266 -1.978580 -0.214721
H -0.230918 -0.619770 1.587960
H -0.098741 1.161331 1.717497
H 0.971640 1.274726 -0.556610
H 0.755317 -0.480851 -0.763997
H 2.468195 0.846399 1.445419
H 2.268704 -0.903197 1.211073
H 3.315292 -0.709759 -1.093690
H 3.516871 1.039023 -0.853707
H -2.684500 -0.432441 2.072908
H -3.738729 0.626951 1.081046
H -2.520579 1.361352 2.178644
H -2.106516 -0.357667 -1.548771
H 5.013078 0.589345 1.142007
H 4.816190 -1.156690 0.894790
H 6.993010 -0.359344 -0.118145
H 6.104599 0.798433 -1.149907
H 5.903838 -0.957930 -1.402619
H -2.001803 2.571168 -2.161590
H -2.471851 -2.566697 -2.213573
H -2.297424 -3.847990 -1.025823


