%chk=000218946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218946

0 1
O -0.694224 0.884037 0.834141
O -2.224712 1.228479 3.161272
N -4.129205 -0.041666 0.271860
C 1.311179 -1.179818 0.782873
C 3.445984 -0.909392 -0.691738
C 2.580927 -1.228066 1.673543
C 1.392616 -2.335559 -0.249756
C 3.844372 -1.064152 0.800027
C 2.655792 -2.173236 -1.124040
C 1.349229 0.117502 0.011045
C 2.500189 0.270355 -0.788015
C 0.386315 1.137218 0.014792
C 2.688160 1.413119 -1.567402
C 0.558335 2.292505 -0.764915
C 1.711048 2.414876 -1.546489
C -1.784611 1.855741 0.848654
C -2.791227 1.262265 1.847038
C -3.238369 -0.166087 1.458241
C -3.856049 -1.067742 -0.793363
C -2.631037 -0.623967 -1.602505
C -5.095581 -1.190884 -1.690708
H 0.392541 -1.264153 1.398774
H 4.346762 -0.777885 -1.323942
H 2.614418 -2.180776 2.227651
H 2.532452 -0.425951 2.430675
H 0.486698 -2.332081 -0.880727
H 1.406937 -3.305686 0.274120
H 4.421767 -0.180396 1.123672
H 4.511424 -1.934670 0.918159
H 3.302328 -3.062785 -1.037512
H 2.376946 -2.090430 -2.189041
H 3.576445 1.525682 -2.180441
H -0.181185 3.084820 -0.768710
H 1.848794 3.311003 -2.151664
H -1.388704 2.825904 1.190607
H -2.217577 1.925901 -0.166054
H -3.663589 1.946844 1.968396
H -3.733312 -0.637746 2.332787
H -2.337046 -0.781014 1.237114
H -5.108726 -0.079445 0.567682
H -3.641839 -2.073840 -0.342328
H -1.339188 0.800256 3.140711
H -2.365492 -1.362040 -2.363852
H -2.813477 0.331555 -2.108570
H -1.753895 -0.473512 -0.955778
H -5.956432 -1.599983 -1.153329
H -4.896591 -1.850118 -2.542933
H -5.390993 -0.216082 -2.100221


%chk=000218946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218946

0 1
O -0.613466 0.808149 0.932948
O -2.191592 0.895817 3.218523
N -4.169037 0.103471 0.092286
C 1.571037 -1.168841 0.845789
C 3.662993 -0.781275 -0.679708
C 2.866906 -1.168370 1.719825
C 1.692263 -2.337523 -0.186207
C 4.119477 -0.937724 0.807055
C 2.944392 -2.105081 -1.100537
C 1.522309 0.135343 0.070813
C 2.654946 0.351588 -0.754662
C 0.484555 1.096825 0.096911
C 2.763436 1.517562 -1.544506
C 0.581088 2.270087 -0.693493
C 1.721694 2.471514 -1.506149
C -1.749690 1.753534 0.944019
C -2.783032 1.135706 1.892898
C -3.393603 -0.168231 1.322926
C -4.349178 -1.038886 -0.849256
C -3.045102 -1.304609 -1.634111
C -5.508632 -0.706223 -1.810159
H 0.676279 -1.302214 1.476605
H 4.534602 -0.592076 -1.332912
H 2.940752 -2.136654 2.250971
H 2.793647 -0.379105 2.489752
H 0.769738 -2.392194 -0.792876
H 1.779642 -3.293760 0.364217
H 4.671921 -0.033865 1.121699
H 4.820891 -1.790977 0.879030
H 3.658953 -2.945571 -1.009916
H 2.646656 -2.042626 -2.162870
H 3.642315 1.677367 -2.179194
H -0.213338 3.021682 -0.685773
H 1.788294 3.381727 -2.112882
H -1.406791 2.736148 1.322523
H -2.182779 1.847132 -0.069813
H -3.585638 1.875970 2.070002
H -3.990200 -0.644475 2.133654
H -2.567059 -0.858249 1.076432
H -5.074212 0.542302 0.311753
H -4.617505 -1.972902 -0.294062
H -1.308869 0.467711 3.061821
H -3.158189 -2.190920 -2.285862
H -2.798373 -0.428651 -2.260882
H -2.189671 -1.487595 -0.958925
H -6.460319 -0.566560 -1.261466
H -5.656902 -1.520070 -2.541743
H -5.287008 0.224492 -2.364688


