%chk=000131830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131830

0 1
 O    1.747700     -0.1422000      0.8726000    
 O    1.481600     -0.7205000      -2.082000    
 O    4.153400     -0.1291000      -1.800500    
 O    3.835100      -1.120600       2.498400    
 O   -2.697500       3.509300       1.031300    
 N  -0.3633000      0.2444000     -0.1706000    
 N   -2.582800      0.4033000     -0.3985000    
 N  -0.1709000      -2.135300      0.2847000    
 N   -2.355100      -3.223800      0.2886000    
 N   -4.387900      -2.027300     -0.1148000    
 C    1.039600      0.6374000     -0.1169000    
 C    1.817800      0.4973000      -1.423300    
 C    3.232000      0.4191000     -0.8825000    
 C    3.045300     -0.4712000      0.3395000    
 C    4.104500     -0.2574000       1.405900    
 C   -1.441800       1.060300     -0.4165000    
 C  -0.8632000      -1.017900      1.6799999E-02
 C   -1.281300       2.507500     -0.6674000    
 C   -2.235900     -0.8967000     -0.1289000    
 C   -1.339700       3.361700      0.6197000    
 C   -2.988800      -2.057500      1.6799999E-02
 C  -0.7435000       4.749900      0.4235000    
 C   -1.005500      -3.190800      0.4040000    
 H    1.087700       1.669200      0.2479000    
 H    1.657600       1.318500      -2.126300    
 H    3.575300       1.418800     -0.5903000    
 H    3.027500      -1.535700      7.4400000E-02
 H    4.092700      0.7700000       1.784200    
 H    5.104600     -0.4826000       1.024500    
 H  -0.3458000       2.698600      -1.205300    
 H   -2.087000       2.826500      -1.342000    
 H    1.515200      -1.452000      -1.444400    
 H    3.810200     -0.9903000      -2.093600    
 H  -0.8001000       2.867700       1.436400    
 H    2.941300     -0.9144000       2.821600    
 H   -1.284300       5.299200     -0.3550000    
 H  -0.8314000       5.337600       1.343500    
 H   0.3128000       4.692300      0.1441000    
 H  -0.5315000      -4.142000      0.6216000    
 H   -3.053100       2.620100       1.198900    
 H   -4.863100      -1.158200     -0.3173000    
 H   -4.912700      -2.884100     -4.1999999E-03


%chk=000131830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131830

0 1
O 2.030216 0.314557 0.687992
O 1.685134 -1.338309 -2.205851
O 4.297014 -1.267367 -1.767664
O 3.853041 -0.573243 2.772762
O -3.304053 3.251725 0.143084
N -0.093485 0.357272 -0.434122
N -2.262560 0.702410 0.225693
N -0.145365 -2.128639 -0.575205
N -2.318577 -3.071283 0.013521
N -4.166041 -1.741204 0.620706
C 1.342843 0.650187 -0.579760
C 2.133291 -0.042806 -1.734854
C 3.550536 -0.236341 -1.085612
C 3.201186 -0.578906 0.382214
C 4.284346 -0.263655 1.406572
C -1.086619 1.301900 -0.061838
C -0.693293 -0.903816 -0.328550
C -0.861663 2.788305 -0.008530
C -2.028839 -0.674048 0.072571
C -2.002765 3.524538 0.755632
C -2.857370 -1.822142 0.241866
C -1.805641 5.042767 0.729445
C -1.020608 -3.161988 -0.379833
H 1.415358 1.743418 -0.719044
H 2.174463 0.619605 -2.615731
H 4.145819 0.694451 -1.135117
H 2.873345 -1.633713 0.470473
H 4.581183 0.803305 1.311335
H 5.164034 -0.901574 1.220221
H 0.103062 3.012428 0.487191
H -0.809078 3.195817 -1.038674
H 1.073611 -1.839114 -1.521201
H 3.597131 -1.865936 -2.167680
H -1.993745 3.161629 1.808210
H 3.006487 -0.084331 2.939011
H -1.823345 5.413356 -0.310968
H -2.629212 5.530539 1.277100
H -0.848445 5.333364 1.199861
H -0.635973 -4.168325 -0.563126
H -3.409338 2.254177 0.165269
H -4.599222 -0.837830 0.799703
H -4.701164 -2.602079 0.721529


