%chk=000223037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223037

0 1
O 2.789661 -0.179460 1.743397
O 3.995015 -0.238377 -0.940740
N -2.978837 0.326241 -2.485968
N -2.101604 4.682375 1.578763
N -2.603612 -4.577523 1.041477
C -1.669962 0.103081 -0.215492
C -2.036120 1.341404 0.650359
C -2.190775 -1.177839 0.495359
C -0.158841 0.020469 -0.417171
C -1.532850 2.656143 0.037388
C -1.865073 -2.457896 -0.287562
C 0.662175 -0.083405 0.717330
C 0.421997 0.031929 -1.692265
C -2.390246 0.227688 -1.497954
C 2.050414 -0.158043 0.571559
C 1.810516 -0.026649 -1.845188
C 2.632847 -0.110122 -0.717413
C -1.851292 3.783953 0.896944
C -2.278767 -3.637701 0.453304
C 3.647415 -1.346833 1.892318
C 4.792857 0.845423 -0.384404
H -3.136662 1.389298 0.789263
H -1.612419 1.219215 1.669090
H -3.287625 -1.101865 0.649500
H -1.750608 -1.239869 1.512484
H -0.427774 2.610810 -0.128745
H -1.979559 2.817659 -0.973816
H -2.364633 -2.447511 -1.286893
H -0.769238 -2.515761 -0.503725
H 0.245445 -0.108649 1.724698
H -0.192802 0.095441 -2.591593
H 2.266847 -0.007116 -2.836224
H 4.285533 -1.482164 1.011717
H 3.022170 -2.226139 2.070253
H 4.233158 -1.088096 2.781602
H 4.581801 0.979585 0.682307
H 4.594530 1.760828 -0.948619
H 5.814613 0.487475 -0.553641


%chk=000223037-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223037

0 1
O 2.876241 -0.227621 1.746090
O 4.086430 -0.191207 -0.935643
N -2.981066 0.311051 -2.542150
N -2.211274 4.778908 1.566309
N -2.750836 -4.627491 1.099100
C -1.671657 0.106030 -0.216831
C -2.053168 1.359958 0.651587
C -2.212734 -1.173673 0.520574
C -0.140173 0.018573 -0.429840
C -1.620214 2.702142 0.004265
C -1.950774 -2.484318 -0.267856
C 0.704971 -0.071386 0.705128
C 0.449363 0.005728 -1.717977
C -2.379307 0.217482 -1.516203
C 2.104980 -0.158503 0.567608
C 1.852595 -0.058462 -1.862929
C 2.693599 -0.117755 -0.732931
C -1.945595 3.853195 0.861882
C -2.393063 -3.671235 0.481515
C 3.706549 -1.450798 1.887764
C 4.867420 0.933484 -0.361146
H -3.145521 1.364832 0.819441
H -1.568766 1.256336 1.639041
H -3.297536 -1.058730 0.698279
H -1.721679 -1.233960 1.508232
H -0.530646 2.696986 -0.186432
H -2.121646 2.835741 -0.973497
H -2.480163 -2.459070 -1.239576
H -0.871406 -2.584558 -0.488550
H 0.307972 -0.090777 1.726220
H -0.180040 0.061092 -2.612462
H 2.319349 -0.048276 -2.852754
H 4.384043 -1.573892 1.024482
H 3.053992 -2.338560 1.983612
H 4.280005 -1.304701 2.815000
H 4.678386 1.037499 0.722060
H 4.607924 1.874488 -0.880966
H 5.921141 0.679447 -0.548748


