%chk=000112629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112629

0 1
O -0.119005 -1.984163 1.085694
O -0.819941 -2.091533 -2.347015
N 1.498163 -1.028599 -0.131491
N 3.885687 0.396609 0.676405
C 2.606116 -1.774761 0.553169
C 2.211561 -0.171372 -1.122729
C 3.499523 -2.211132 -0.636305
C 3.243259 -1.155603 -1.738412
C 3.322925 -0.750961 1.471077
C 2.903806 0.958799 -0.315514
C 0.163694 -1.205587 0.182070
C -0.907509 -0.369989 -0.574880
C 4.338763 1.477551 1.603023
C -0.834970 -0.689072 -2.095801
C -0.614938 1.091885 -0.254009
C -2.339263 -0.697744 -0.146271
C -0.507091 1.461179 1.100042
C -3.335815 0.282196 -0.309554
C -0.464533 2.071420 -1.243875
C -2.707284 -1.964473 0.326045
C -0.233022 2.782577 1.451778
C -4.666094 0.000261 0.004808
C -0.188519 3.396427 -0.885494
C -4.041434 -2.243549 0.640886
C -0.067862 3.755021 0.458330
C -5.024890 -1.265465 0.480845
H 2.210721 -2.630605 1.145177
H 1.523489 0.252890 -1.888466
H 3.226560 -3.221205 -0.980971
H 4.563156 -2.235636 -0.348399
H 4.175090 -0.635034 -2.013002
H 2.842085 -1.624585 -2.650822
H 2.618294 -0.427630 2.267217
H 4.182695 -1.243760 1.973631
H 3.484468 1.605073 -1.007929
H 2.124072 1.597940 0.154955
H 5.109194 1.070093 2.277448
H 3.545216 1.928519 2.217110
H 4.818108 2.276116 1.014463
H 0.124426 -0.352021 -2.545166
H -1.686026 -0.231459 -2.633934
H -0.647336 0.706795 1.879024
H -3.077699 1.275519 -0.676474
H -0.569138 1.829197 -2.299116
H -1.949405 -2.739748 0.490046
H -1.615417 -2.523926 -1.959493
H -0.152956 3.058422 2.502774
H -5.426239 0.769523 -0.120063
H -0.072246 4.150756 -1.662720
H -4.308320 -3.230109 1.017651
H 0.146039 4.785936 0.733637
H -6.061763 -1.483682 0.727002


%chk=000112629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112629

0 1
O -0.078137 -1.846926 1.279725
O -0.974387 -2.198049 -2.230346
N 1.520759 -0.975643 -0.117711
N 3.978111 0.255033 0.786765
C 2.605223 -1.789296 0.506286
C 2.264121 -0.032011 -1.003278
C 3.490350 -2.151459 -0.721350
C 3.245860 -0.988055 -1.741407
C 3.355661 -0.881773 1.510646
C 3.017504 0.970716 -0.086386
C 0.206159 -1.104721 0.283492
C -0.903218 -0.332279 -0.529790
C 4.729553 1.160301 1.671762
C -0.832628 -0.759084 -2.045029
C -0.669456 1.182177 -0.323587
C -2.341768 -0.710259 -0.073865
C -0.597109 1.673501 1.007893
C -3.382312 0.250219 -0.191007
C -0.563746 2.110783 -1.388470
C -2.698127 -2.038102 0.296193
C -0.412234 3.046935 1.267087
C -4.728078 -0.092286 0.064616
C -0.373861 3.489747 -1.132157
C -4.046704 -2.378709 0.552973
C -0.296770 3.964851 0.195505
C -5.069565 -1.411706 0.437770
H 2.162388 -2.652270 1.024980
H 1.602573 0.529257 -1.674567
H 3.175435 -3.121306 -1.142911
H 4.551851 -2.215424 -0.431075
H 4.182214 -0.466554 -2.000386
H 2.782248 -1.367450 -2.669273
H 2.630001 -0.547630 2.293797
H 4.157149 -1.455869 2.013538
H 3.582287 1.687278 -0.713907
H 2.260646 1.552261 0.496301
H 5.494856 0.587715 2.226701
H 4.083747 1.686630 2.419538
H 5.247018 1.928383 1.068408
H 0.144126 -0.525429 -2.493261
H -1.623062 -0.211430 -2.600304
H -0.698001 0.966756 1.840247
H -3.142476 1.279596 -0.477350
H -0.632283 1.776499 -2.429389
H -1.913681 -2.779830 0.458977
H -1.838673 -2.482935 -1.829065
H -0.362664 3.402469 2.302440
H -5.507560 0.672708 -0.027621
H -0.294977 4.190489 -1.971253
H -4.292115 -3.404317 0.851781
H -0.155066 5.033104 0.393589
H -6.112787 -1.679306 0.640135


