%chk=000158574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158574

0 1
 O   -1.653200      -2.821900       1.597600    
 O   0.4929000      -1.182300      0.8201000    
 O    4.151800     -0.7184000      -2.190800    
 N   -2.427100     -0.2796000     -0.9753000    
 N   0.3783000       1.819500       2.787600    
 C   -3.174200      0.9803000     -0.9030000    
 C   -2.375600     -0.9184000      0.3288000    
 C   -1.599000      -2.236900      0.2934000    
 C   -3.209500       1.608200      -2.300400    
 C   -4.598700      0.6766000     -0.4269000    
 C   -2.479900       1.927500      8.2800001E-02
 C  -0.1349000      -2.064600     -0.1050000    
 C    1.535800     -0.4330000      0.3450000    
 C    1.815400      0.8240000      0.8735000    
 C    2.316800     -0.9545000     -0.6828000    
 C    3.385700     -0.2128000      -1.185900    
 C    2.884200       1.565600      0.3704000    
 C    3.669500       1.047300     -0.6593000    
 C    1.022000       1.373500       1.930100    
 H   -1.482800     -9.0400003E-02  -1.308500    
 H   -1.918400     -0.2930000       1.101700    
 H   -3.375200      -1.177600      0.6934000    
 H   -2.076600      -2.940300     -0.3992000    
 H   -2.199300       1.826600      -2.666300    
 H   -3.769700       2.550200      -2.297500    
 H   -3.690100      0.9408000      -3.025400    
 H   -4.665300      0.4464000      0.6417000    
 H   -5.049100     -0.1489000     -0.9912000    
 H   -5.242200       1.551900     -0.5818000    
 H   -2.613800       1.647100       1.132400    
 H   -2.896800       2.938300     -9.8000001E-03
 H   -1.406300       2.009900     -0.1230000    
 H  -8.6599998E-02  -1.703600      -1.139100    
 H   0.3701000      -3.036000     -3.9099999E-02
 H   -2.588300      -2.987300       1.807100    
 H    2.145900      -1.946200      -1.091400    
 H    3.118600       2.549600      0.7698000    
 H    4.500800       1.629700      -1.047100    
 H    3.814000      -1.596900      -2.436000    


%chk=000158574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158574

0 1
O -1.324088 -2.941458 1.434850
O 0.372527 -0.673014 0.144134
O 4.906338 -1.528398 -1.618972
N -2.420967 0.069033 -0.589131
N 0.258528 2.593372 1.267456
C -3.513829 1.103222 -0.611310
C -2.345069 -0.828264 0.583311
C -1.587362 -2.131134 0.228231
C -3.209647 2.014148 -1.825541
C -4.878548 0.403506 -0.826648
C -3.543362 1.961182 0.688791
C -0.217617 -1.906781 -0.419344
C 1.683017 -0.333011 -0.154024
C 2.071095 0.988297 0.239037
C 2.612035 -1.188267 -0.787999
C 3.935317 -0.731276 -1.003532
C 3.407369 1.411511 0.008334
C 4.343417 0.563919 -0.604926
C 1.094324 1.865217 0.814927
H -1.509539 0.538399 -0.702419
H -1.844188 -0.373302 1.465231
H -3.372011 -1.108372 0.887521
H -2.196687 -2.713972 -0.495889
H -2.243370 2.538022 -1.691479
H -3.994701 2.781836 -1.945543
H -3.156112 1.413703 -2.751349
H -5.146354 -0.250503 0.024093
H -4.848252 -0.213109 -1.742318
H -5.682410 1.155116 -0.928686
H -3.779554 1.339781 1.572809
H -4.314430 2.751227 0.619767
H -2.563496 2.443777 0.863510
H -0.317392 -1.773866 -1.512764
H 0.417184 -2.782558 -0.188723
H -2.143114 -2.974653 1.990882
H 2.319395 -2.195113 -1.103730
H 3.700292 2.420994 0.311922
H 5.372954 0.879384 -0.788435
H 4.547508 -2.418196 -1.861442


