%chk=000193769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193769

0 1
O 2.667840 1.538199 0.518699
O 2.464298 -2.360401 -0.337274
O -3.353849 -0.083361 0.240691
O -2.303133 1.907412 0.050536
N 3.808837 2.360338 0.282333
C 1.398499 -0.260662 -0.265112
C 0.228083 0.489573 -0.158200
C -1.020654 -0.147874 -0.022597
C 1.287237 -1.670033 -0.226686
C 2.737288 0.396675 -0.408281
C -1.104201 -1.549025 0.008261
C 0.050945 -2.321795 -0.095649
C -2.222396 0.700095 0.084719
C -4.614260 0.628126 0.359367
H 0.282077 1.586244 -0.171307
H 3.573800 -0.255338 -0.095312
H 2.916125 0.766681 -1.434228
H -2.082212 -2.029576 0.114236
H -0.008249 -3.405567 -0.071876
H 2.332101 -3.341991 -0.286365
H -5.337553 -0.185666 0.471113
H -4.791030 1.214946 -0.547695
H -4.586772 1.278439 1.239613
H 4.267419 2.389019 1.192204
H 3.399359 3.278940 0.116010


%chk=000193769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193769

0 1
O 2.588814 1.804440 0.114961
O 2.517657 -2.376664 -0.434632
O -3.448538 -0.120761 0.189125
O -2.288302 1.890131 0.398126
N 3.945389 2.435044 0.115583
C 1.400811 -0.283527 -0.093620
C 0.211997 0.450732 0.070317
C -1.055478 -0.191833 0.053011
C 1.301971 -1.689693 -0.276494
C 2.772719 0.357564 -0.083149
C -1.131154 -1.595468 -0.131361
C 0.048248 -2.345014 -0.296107
C -2.269942 0.644714 0.230169
C -4.701560 0.646941 0.356728
H 0.261526 1.533073 0.212822
H 3.400719 -0.060490 0.728591
H 3.307357 0.169954 -1.035374
H -2.108666 -2.083814 -0.144130
H -0.003547 -3.432096 -0.439034
H 2.367019 -3.346927 -0.554773
H -5.502145 -0.104330 0.299957
H -4.802859 1.397341 -0.445708
H -4.709053 1.163115 1.331778
H 3.995143 2.919020 1.030392
H 3.891472 3.141947 -0.639977


