%chk=000170344.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170344

0 1
 O  -0.3342000     -0.7378000       2.581400    
 O    3.577100       3.260800     -0.3308000    
 O    3.935300      -2.884200     -0.6073000    
 O    1.825800       2.138400      -1.244900    
 O    2.366600      -1.627200      -1.666200    
 N    2.228800      5.5500001E-02  0.5031000    
 N  -0.5764000      0.4059000      0.5455000    
 C   -1.909400      0.1117000      0.1720000    
 C   -2.301600      -1.211900     -2.8600000E-02
 C   -2.831400       1.145200      5.2999998E-03
 C    1.517700      0.5264000       1.691000    
 C   -1.337300      -2.340700      0.1420000    
 C   -2.441800       2.572900      0.2137000    
 C   0.1021000     -2.4200000E-02   1.684000    
 C   -3.615800      -1.501800     -0.3959000    
 C   -4.145500      0.8551000     -0.3617000    
 C    3.348300      0.9437000      0.1919000    
 C    2.702300      -1.314100      0.7001000    
 C   -4.537600     -0.4682000     -0.5624000    
 C   -1.430400      -3.356400     -0.9921000    
 C   -1.933200       3.225700      -1.067600    
 C    2.817600       2.153100     -0.5269000    
 C    2.972900      -1.927900     -0.6457000    
 H    2.022200      0.2374000       2.621300    
 H    1.421900       1.620200       1.708800    
 H  -0.2992000      -2.002800      0.1334000    
 H   -1.515600      -2.836100       1.103200    
 H   -3.308300       3.139800      0.5790000    
 H   -1.692500       2.670400       1.008100    
 H  -0.1929000       1.244000      0.1141000    
 H   -3.962000      -2.520900     -0.5363000    
 H   -4.874800       1.649700     -0.4962000    
 H    3.890200       1.242900       1.097200    
 H    4.068100      0.4838000     -0.4956000    
 H    3.606400      -1.341600       1.320300    
 H    1.946300      -1.950700       1.173900    
 H   -5.562200     -0.6941000     -0.8432000    
 H   -2.359800      -3.933200     -0.9625000    
 H  -0.6100000      -4.077900     -0.9079000    
 H   -1.351300      -2.874100      -1.972600    
 H   -1.052400       2.708900      -1.461500    
 H   -1.657900       4.267700     -0.8761000    
 H   -2.702200       3.217000      -1.847600    
 H    3.227100       4.035500     -0.8204000    
 H    4.086400      -3.286700      -1.489000    


%chk=000170344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170344

0 1
O -0.488321 -0.890314 2.742566
O 3.587435 3.793643 0.757059
O 3.106809 -1.874403 -2.212200
O 1.380297 3.073559 0.866722
O 2.295336 0.304342 -2.253292
N 2.254062 0.348502 0.621189
N -0.425304 -0.007033 0.547099
C -1.787748 -0.165715 0.112777
C -2.421754 -1.446676 0.140632
C -2.456723 0.989287 -0.394350
C 1.594279 0.102497 1.921289
C -1.667824 -2.685919 0.610176
C -1.766463 2.344659 -0.483256
C 0.113041 -0.332593 1.777740
C -3.762246 -1.529457 -0.311436
C -3.790928 0.851213 -0.845845
C 3.235285 1.436435 0.572548
C 2.651548 -0.873043 -0.086243
C -4.447114 -0.395602 -0.796522
C -2.317385 -4.041701 0.268287
C -0.954794 2.526121 -1.796945
C 2.592880 2.809138 0.747934
C 2.648075 -0.701686 -1.604179
H 2.103162 -0.666701 2.541463
H 1.585983 1.039882 2.504738
H -0.644669 -2.654541 0.178507
H -1.518386 -2.608264 1.704726
H -2.537067 3.136906 -0.435938
H -1.091165 2.502891 0.376867
H 0.219976 0.557082 -0.028122
H -4.272575 -2.497266 -0.298020
H -4.316128 1.736109 -1.225429
H 4.053585 1.346575 1.325301
H 3.719245 1.449489 -0.420833
H 3.649709 -1.271265 0.211684
H 1.923015 -1.672725 0.144186
H -5.484188 -0.486774 -1.138679
H -3.285050 -4.174808 0.786213
H -1.658170 -4.867215 0.593280
H -2.493697 -4.153840 -0.817776
H -0.125326 1.799178 -1.881852
H -0.510437 3.537324 -1.836515
H -1.604963 2.395330 -2.681234
H 3.168161 4.691826 0.848217
H 3.073941 -1.775249 -3.202234


