%chk=000233764.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233764

0 1
S 0.633520 1.523247 -1.035360
O 1.848271 1.883175 0.127914
O 0.971077 0.228331 -1.630559
N 4.272717 -0.828973 -0.132689
C 3.610738 -1.571003 -1.259246
C 4.890968 -1.894296 0.726290
C 3.282042 -2.998766 -0.769705
C 4.096732 -3.203622 0.520568
C 3.300126 0.014451 0.628781
C 3.162565 1.362312 -0.102286
C -0.658970 1.361418 0.283910
C -1.671346 2.388173 -0.123018
C -1.158975 -0.039693 0.455898
C -1.881156 3.519136 0.682403
C -0.236939 -1.089392 0.612700
C -2.393955 2.249953 -1.321129
C -2.532403 -0.325009 0.524301
C -2.799547 4.497910 0.292693
C -0.681739 -2.398163 0.807833
C -3.308839 3.232528 -1.705398
C -2.972824 -1.636373 0.722767
C -3.513167 4.358876 -0.901361
C -2.050949 -2.677398 0.862309
H 2.705056 -1.044588 -1.632973
H 4.339517 -1.596627 -2.095114
H 5.937648 -2.011588 0.371679
H 4.942843 -1.598484 1.788331
H 3.539664 -3.747692 -1.534930
H 2.200928 -3.107479 -0.580179
H 4.772964 -4.068927 0.437922
H 3.434789 -3.404881 1.378091
H 2.290305 -0.458131 0.738348
H 3.671510 0.184159 1.660137
H 3.818065 2.139237 0.335828
H 3.378385 1.279658 -1.182948
H -0.163201 1.658105 1.252037
H -1.331034 3.636358 1.615114
H 0.844268 -0.893942 0.564834
H -2.254062 1.367101 -1.946246
H -3.266786 0.474489 0.430783
H -2.958590 5.371786 0.923387
H 0.042569 -3.203859 0.916520
H -3.865757 3.119383 -2.634919
H -4.040333 -1.845104 0.770190
H -4.226372 5.123203 -1.203788
H -2.395724 -3.697696 1.012978


%chk=000233764-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233764

0 1
S 0.100986 0.375877 -0.915382
O 1.420188 1.105910 0.242761
O 0.180727 -1.255849 -0.831720
N 4.778010 -0.586527 -0.220763
C 4.914142 -1.187697 -1.583013
C 5.638266 -1.455228 0.630983
C 5.087156 -2.741769 -1.386335
C 5.391278 -2.916014 0.137022
C 3.368686 -0.461349 0.236817
C 2.806047 0.895420 -0.233408
C -1.325608 1.003475 0.530084
C -1.886372 2.276220 -0.029060
C -2.193593 -0.172087 0.835532
C -1.659434 3.498807 0.657131
C -1.598876 -1.302663 1.467996
C -2.612724 2.308202 -1.252508
C -3.583927 -0.213215 0.535343
C -2.170038 4.715521 0.155063
C -2.372638 -2.436925 1.789612
C -3.114801 3.525144 -1.760219
C -4.355665 -1.346994 0.863711
C -2.902107 4.732864 -1.054635
C -3.752770 -2.465473 1.486706
H 4.038012 -0.935320 -2.205086
H 5.811142 -0.764957 -2.073544
H 6.697029 -1.176189 0.460783
H 5.414517 -1.301037 1.700020
H 5.914540 -3.122509 -2.011230
H 4.173868 -3.289181 -1.676081
H 6.257619 -3.574632 0.324474
H 4.518565 -3.349057 0.658913
H 2.703906 -1.281012 -0.119122
H 3.348230 -0.477827 1.341872
H 3.388430 1.724706 0.207672
H 2.862312 0.987834 -1.337444
H -0.577626 1.193291 1.316928
H -1.081569 3.491207 1.588643
H -0.531402 -1.285039 1.709518
H -2.768103 1.380548 -1.816550
H -4.068834 0.655779 0.080375
H -1.990946 5.647896 0.701740
H -1.898993 -3.298110 2.273375
H -3.666438 3.533678 -2.706885
H -5.428649 -1.356373 0.641342
H -3.293128 5.677405 -1.448691
H -4.354817 -3.345443 1.739956


