%chk=000217583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217583

0 1
O 2.073469 1.236837 -0.955879
O 2.004770 -0.228290 2.369936
O -2.299329 -2.684529 1.892076
O -2.800287 1.147402 -1.132337
O -3.968320 -1.028341 0.155322
N 2.405159 0.872078 0.410035
C 4.811368 0.071671 -1.227212
C 4.874929 0.373349 0.291653
C 3.551491 -0.740277 -1.631533
C 3.757700 1.311178 0.800589
C 2.296392 0.101479 -1.916216
C 1.551649 0.157187 1.248800
C 0.136510 -0.135447 0.832012
C -0.612639 0.673003 -0.065046
C -0.476984 -1.241045 1.455066
C -1.823662 -1.576638 1.181671
C -1.964484 0.365274 -0.312075
C -2.593046 -0.769435 0.293420
C -3.401780 -3.505790 1.363591
C -2.244019 2.395611 -1.661995
C -4.491390 -1.231778 -1.212847
H 4.852845 1.016975 -1.805231
H 5.712935 -0.508678 -1.502711
H 4.824003 -0.579416 0.853003
H 5.848823 0.841761 0.537865
H 3.754103 -1.318586 -2.555528
H 3.333556 -1.483922 -0.841576
H 3.773188 1.360539 1.902274
H 3.888427 2.330157 0.390942
H 2.378505 0.639215 -2.878309
H 1.388303 -0.532723 -1.923254
H -0.136502 1.534558 -0.534024
H 0.085607 -1.846075 2.170611
H -4.370076 -2.994485 1.477809
H -3.369759 -4.425723 1.968679
H -3.238363 -3.755025 0.297023
H -1.914583 3.063455 -0.843614
H -3.070468 2.863662 -2.217064
H -1.394688 2.202513 -2.345663
H -4.332693 -0.331492 -1.827360
H -5.566851 -1.425880 -1.080695
H -4.004407 -2.108426 -1.685007


%chk=000217583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217583

0 1
O 2.061068 1.271356 -0.984449
O 2.040629 -0.200990 2.345360
O -2.233708 -2.718881 1.841828
O -2.811719 1.164735 -1.106364
O -3.941920 -1.047613 0.142654
N 2.393305 0.947137 0.391348
C 4.782505 -0.015319 -1.190833
C 4.845929 0.358843 0.311495
C 3.485264 -0.777628 -1.573264
C 3.760267 1.362407 0.760210
C 2.279634 0.110517 -1.919020
C 1.567036 0.194643 1.227744
C 0.153122 -0.112569 0.817660
C -0.611028 0.701932 -0.060426
C -0.440618 -1.237632 1.423367
C -1.784260 -1.587898 1.151036
C -1.959806 0.380209 -0.305420
C -2.569251 -0.774593 0.281951
C -3.355002 -3.527660 1.334498
C -2.276341 2.429751 -1.617766
C -4.462924 -1.239714 -1.227933
H 4.882053 0.895623 -1.815539
H 5.654176 -0.656488 -1.424647
H 4.752017 -0.560365 0.920832
H 5.835053 0.801781 0.543603
H 3.667413 -1.409532 -2.466035
H 3.218500 -1.471299 -0.753352
H 3.778682 1.477959 1.856890
H 3.922267 2.349962 0.290583
H 2.421736 0.626927 -2.885821
H 1.347858 -0.487495 -1.951213
H -0.147912 1.577482 -0.516949
H 0.134735 -1.848028 2.124118
H -4.316676 -3.010796 1.475015
H -3.314418 -4.451641 1.932831
H -3.218984 -3.771072 0.262800
H -1.951922 3.088160 -0.789786
H -3.112600 2.895237 -2.160137
H -1.428226 2.260640 -2.309173
H -4.320204 -0.327536 -1.828789
H -5.534814 -1.454030 -1.097947
H -3.961514 -2.100618 -1.713760


