%chk=000054707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054707

0 1
 O   0.6782000      0.3701000     -1.8800000E-02
 O   -1.533500      0.7923000     -0.7731000    
 O    3.519400     -0.7342000       1.814800    
 N   -3.700500      -1.117200       1.158200    
 N   -3.469800      4.1800000E-02  0.3920000    
 N  -0.3466000      -1.717700      5.0700001E-02
 N    3.097900     -0.6532000     -0.4645000    
 C    2.014300      -1.603000     -0.4705000    
 C    1.905700      -2.388600      -1.794500    
 C   0.7253000     -0.8531000     -0.1360000    
 C   -1.597200      -1.306400      0.3559000    
 C   -2.560200      -1.915600       1.058800    
 C    1.544500      -1.459700      -2.957800    
 C    3.176200      -3.175700      -2.133000    
 C   -2.150600      3.1999999E-03 -7.6700002E-02
 C   -4.507400      0.8872000     -7.4100003E-02
 C   -2.487700      -3.246900       1.727500    
 C   -4.409600     -0.9806000       2.426700    
 C    3.769400     -0.2934000      0.6960000    
 C   -4.207700       2.152000     -0.5897000    
 C   -5.838600      0.4622000     -2.2800000E-02
 C    4.845700      0.7185000      0.5385000    
 C   -5.229000       2.983500      -1.049400    
 C   -6.859900       1.293600     -0.4825000    
 C   -6.555100       2.554300     -0.9957000    
 C    5.162900       1.526100       1.610800    
 C    5.493200      0.8183000     -0.6754000    
 C    6.173300       2.476300       1.462600    
 C    6.503600       1.768400     -0.8236000    
 C    6.843600       2.597500      0.2455000    
 H    2.190300      -2.316700      0.3454000    
 H    1.093100      -3.120700      -1.702500    
 H   0.6068000     -0.9247000      -2.778900    
 H    1.408100      -2.042100      -3.876200    
 H    2.328000     -0.7221000      -3.157400    
 H    3.439600      -3.852000      -1.313100    
 H    3.027800      -3.781900      -3.033000    
 H    4.027500      -2.510900      -2.313200    
 H  -0.1404000      -2.704500      0.1801000    
 H    3.274700     -0.1456000      -1.324000    
 H   -2.541800      -3.137500       2.815300    
 H   -3.319600      -3.879800       1.401500    
 H   -1.560300      -3.778600       1.495200    
 H   -3.709200     -0.7170000       3.227800    
 H   -4.893100      -1.927200       2.690400    
 H   -5.183900     -0.2100000       2.415700    
 H   -3.192400       2.533700     -0.6226000    
 H   -6.115400     -0.5260000      0.3331000    
 H   -4.992800       3.967700      -1.443600    
 H   -7.891900      0.9566000     -0.4490000    
 H   -7.350200       3.201500      -1.354200    
 H    4.647200       1.448100       2.563200    
 H    5.281600      0.1700000      -1.519400    
 H    6.437500       3.122500       2.294600    
 H    7.031200       1.857900      -1.768700    
 H    7.631400       3.336200      0.1305000    


%chk=000054707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054707

0 1
O 1.101417 0.790915 0.737887
O -2.778825 -1.441468 -1.745289
O 3.963120 -2.639616 -0.811673
N -3.614861 0.719280 0.957957
N -4.000504 -0.131972 -0.128405
N -0.451789 -0.368803 -0.581653
N 3.193736 -0.498328 -0.319328
C 1.940103 -0.666981 -1.058584
C 1.978476 -0.046686 -2.504625
C 0.825107 -0.018159 -0.207777
C -1.712115 0.038990 -0.098894
C -2.197782 0.850071 0.920395
C 2.193651 1.483409 -2.476093
C 3.053164 -0.746251 -3.366526
C -2.838549 -0.600341 -0.791116
C -5.297018 -0.733233 -0.170369
C -1.535386 1.781716 1.893418
C -4.464396 1.918446 1.164759
C 4.118022 -1.526782 -0.210283
C -5.816325 -1.151830 -1.421186
C -6.041301 -0.933206 1.020608
C 5.317563 -1.257175 0.663488
C -7.086436 -1.763616 -1.471039
C -7.318415 -1.529105 0.950524
C -7.847857 -1.945669 -0.292795
C 6.081127 -2.374617 1.087887
C 5.720796 0.047063 1.053748
C 7.215591 -2.195630 1.905828
C 6.859341 0.225916 1.869683
C 7.606495 -0.894350 2.302249
H 1.764801 -1.756965 -1.164970
H 0.984969 -0.250815 -2.959191
H 1.404677 2.007716 -1.906708
H 2.196793 1.885551 -3.505377
H 3.168876 1.729154 -2.016169
H 2.914354 -1.841153 -3.384366
H 3.015061 -0.365960 -4.404048
H 4.063392 -0.548418 -2.965933
H -0.561742 -1.057958 -1.342363
H 3.185328 0.273815 0.357108
H -1.768431 2.840533 1.667760
H -1.869435 1.574668 2.926912
H -0.445163 1.650228 1.829662
H -4.367936 2.639874 0.329312
H -4.157375 2.400896 2.104737
H -5.517412 1.613036 1.256147
H -5.219118 -1.017095 -2.326039
H -5.604896 -0.658561 1.986566
H -7.483352 -2.094177 -2.436909
H -7.891269 -1.683831 1.871462
H -8.836610 -2.413934 -0.341733
H 5.764524 -3.368905 0.756087
H 5.174546 0.930268 0.702596
H 7.795754 -3.065508 2.232939
H 7.167572 1.236103 2.160969
H 8.489541 -0.753649 2.935657


