%chk=000201120.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201120

0 1
O -5.752205 1.486236 -0.348237
O -5.258074 3.503049 -0.947276
N 0.110217 -2.186160 -0.209137
N 2.652279 0.174494 -0.291548
N 1.525218 2.074265 0.307792
N -4.949903 2.372665 -0.601500
C -0.538132 -3.344257 -0.914064
C 1.075329 -2.656912 0.837686
C -1.297072 -4.212916 0.102200
C 0.339852 -3.523133 1.873883
C -0.361073 -4.713091 1.208612
C 0.775121 -1.292443 -1.219756
C 1.292124 -0.051024 -0.584419
C 0.626167 1.130359 -0.198698
C 2.754528 1.502990 0.261418
C -0.803319 1.443298 -0.287930
C 3.780724 -0.638401 -0.452059
C 4.046921 1.980943 0.647248
C 5.000087 -0.146371 -0.072552
C -1.766897 0.465438 0.014409
C -1.207667 2.736645 -0.672933
C 5.134522 1.172671 0.481370
C -3.123183 0.766437 -0.085322
C -2.561387 3.045589 -0.774169
C -3.513641 2.053948 -0.486240
H 0.190563 -3.968727 -1.474046
H -1.256849 -2.933269 -1.656509
H 1.490712 -1.758043 1.345553
H 1.930497 -3.221804 0.410614
H -2.120931 -3.621504 0.550750
H -1.772787 -5.063673 -0.419030
H 1.055674 -3.872234 2.640117
H -0.408064 -2.901046 2.406828
H -0.933420 -5.287415 1.960943
H 0.385831 -5.414088 0.791190
H -0.008017 -1.001286 -1.966582
H 1.578500 -1.804175 -1.797585
H 3.632273 -1.633956 -0.874724
H 4.106685 2.987827 1.065311
H 5.897138 -0.755303 -0.185438
H -1.448393 -0.535103 0.339604
H -0.451292 3.499286 -0.877649
H 6.132233 1.509164 0.766162
H -3.884172 0.014378 0.146963
H -2.890716 4.046352 -1.072453


%chk=000201120-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201120

0 1
O -5.817700 1.493235 -0.564845
O -5.277908 3.709726 -0.589151
N 0.124414 -2.270175 -0.205114
N 2.669573 0.176358 -0.324779
N 1.552603 2.121871 0.166766
N -4.955266 2.457890 -0.542497
C -0.419986 -3.468128 -0.900320
C 0.975145 -2.643075 0.954967
C -1.258478 -4.330692 0.063617
C 0.176059 -3.481370 1.972890
C -0.425277 -4.736521 1.300749
C 0.812158 -1.362811 -1.168272
C 1.308591 -0.078338 -0.566228
C 0.646761 1.137606 -0.245457
C 2.775934 1.541438 0.122263
C -0.790982 1.442041 -0.314573
C 3.792851 -0.635400 -0.446734
C 4.062576 2.059409 0.437091
C 5.042567 -0.116592 -0.140585
C -1.782307 0.417518 -0.317081
C -1.200307 2.806324 -0.362772
C 5.185839 1.242007 0.305376
C -3.146816 0.748736 -0.394034
C -2.559688 3.147697 -0.437486
C -3.521007 2.109729 -0.460460
H 0.408758 -4.092660 -1.327999
H -1.042979 -3.124113 -1.748184
H 1.341347 -1.715220 1.430453
H 1.872008 -3.230767 0.619254
H -2.143444 -3.749072 0.386536
H -1.625478 -5.226352 -0.472787
H 0.838087 -3.765082 2.813046
H -0.638252 -2.855091 2.385237
H -1.049973 -5.298662 2.019685
H 0.394505 -5.415307 0.985593
H 0.077538 -1.118848 -1.960114
H 1.660523 -1.884969 -1.681760
H 3.635655 -1.663182 -0.778913
H 4.126863 3.095867 0.776621
H 5.917952 -0.763640 -0.239884
H -1.472346 -0.629716 -0.201607
H -0.427359 3.579521 -0.335344
H 6.180424 1.629674 0.544418
H -3.924878 -0.019217 -0.389565
H -2.892296 4.188054 -0.479219


