%chk=000198981.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198981

0 1
O -4.826730 -0.801211 -1.492224
O -5.891319 -1.054036 0.614044
N 0.046527 0.892127 -0.380652
N 2.595187 -0.404284 -0.951049
N 3.841586 -1.526942 0.758797
N 4.664171 0.562766 -0.225222
C 1.267213 1.725858 -0.693484
C 2.218108 0.886009 -1.591360
C 0.436928 -0.386542 0.305931
C 1.386000 -1.199665 -0.592639
C -0.933092 1.644451 0.473648
C 0.871841 2.992282 -1.460283
C -2.245503 0.900239 0.561129
C 3.702382 -0.435454 -0.094512
C -2.832182 0.404320 -0.634099
C -2.872317 0.744761 1.798558
C -4.044282 -0.228698 -0.496588
C -4.684174 -0.381230 0.770115
C -4.121847 0.094481 1.931969
C -6.012746 -1.336484 -0.818244
C 5.004119 -1.629814 1.442225
C 5.808085 0.411651 0.480845
C 6.032752 -0.680885 1.332687
H 1.817391 2.014878 0.240140
H 1.717382 0.636462 -2.555171
H 3.128523 1.476967 -1.841399
H -0.491191 -0.976957 0.481246
H 0.905371 -0.221418 1.300421
H 1.675134 -2.151907 -0.091879
H 0.880831 -1.472903 -1.548127
H -1.131876 2.633433 -0.008064
H -0.534384 1.868347 1.488279
H 1.756866 3.530632 -1.818885
H 0.248140 2.753744 -2.332559
H 0.300567 3.688660 -0.835557
H -2.326017 0.515346 -1.592198
H -2.400285 1.130311 2.701231
H -4.602424 -0.019558 2.898688
H -6.010751 -2.426484 -0.948453
H -6.888609 -0.793254 -1.196129
H 5.096734 -2.503284 2.100837
H 6.556769 1.204547 0.354621
H 6.957719 -0.784863 1.885670


%chk=000198981-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198981

0 1
O -4.583594 -1.245969 -1.604322
O -6.057098 -1.143481 0.293600
N -0.016104 1.067404 -0.083141
N 2.570009 -0.150921 -0.364690
N 4.067643 -1.639311 0.694148
N 4.871246 0.378368 -0.455003
C 1.167868 1.921236 -0.416905
C 2.228291 1.050520 -1.140488
C 0.381465 -0.097576 0.753713
C 1.414140 -0.975116 0.028992
C -1.148098 1.803192 0.536915
C 0.802631 3.104850 -1.334676
C -2.444308 0.995823 0.542142
C 3.866737 -0.477954 -0.033728
C -2.800366 0.237105 -0.612702
C -3.314429 1.044146 1.657678
C -4.022904 -0.431422 -0.585879
C -4.889609 -0.371828 0.527016
C -4.562930 0.359414 1.669693
C -5.897199 -1.701063 -1.076655
C 5.355032 -1.944094 0.999143
C 6.140248 0.027409 -0.123860
C 6.453848 -1.140866 0.610797
H 1.638387 2.314955 0.521831
H 1.811440 0.745987 -2.123871
H 3.152112 1.625189 -1.303781
H -0.520225 -0.699021 0.964504
H 0.807121 0.235127 1.734333
H 1.773041 -1.789482 0.675835
H 0.949396 -1.410531 -0.879168
H -1.314536 2.724838 -0.048525
H -0.914760 2.125467 1.583721
H 1.724381 3.568970 -1.729970
H 0.197223 2.752238 -2.189744
H 0.241476 3.896840 -0.810023
H -2.117181 0.183014 -1.464028
H -3.021737 1.623563 2.540849
H -5.231833 0.396816 2.533113
H -5.898836 -2.803188 -1.017801
H -6.700740 -1.304674 -1.721997
H 5.500827 -2.866008 1.574771
H 6.926184 0.712700 -0.463388
H 7.482338 -1.406266 0.863858


