%chk=000126283.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126283

0 1
 O   -3.270600       1.696600      9.0499997E-02
 O   -1.201900       1.822100      -1.707200    
 O   -3.745500      -2.314300     -0.2889000    
 O    1.870900       2.234900      0.7743000    
 N   0.8435000      0.2547000      0.1856000    
 N    3.236900      0.5133000      0.2069000    
 N    4.631000      -1.254000     -0.3773000    
 C   -2.584700     -0.5025000      0.7595000    
 C  -0.4928000      0.7570000      0.3747000    
 C   -1.270200     -5.2099999E-02   1.427600    
 C   -2.749100      0.4677000     -0.4128000    
 C   -1.319600      0.6582000     -0.9091000    
 C   -2.508800      -1.958800      0.3046000    
 C    1.002800      -1.056100     -0.2268000    
 C    1.982500       1.063300      0.4085000    
 C    2.200300      -1.603200     -0.4274000    
 C    3.375400     -0.7268000     -0.1826000    
 H   -3.415500     -0.3956000       1.468400    
 H  -0.4434000       1.803700      0.6986000    
 H   -1.512500      0.6181000       2.263200    
 H  -0.7144000     -0.8880000       1.865800    
 H   -3.418500      0.1204000      -1.205300    
 H   -1.037900     -0.1891000      -1.541400    
 H   -2.318600      -2.631600       1.146900    
 H   -1.756100      -2.140400     -0.4576000    
 H   -1.830700       1.736900      -2.444000    
 H   -4.168100       1.518600      0.4198000    
 H   0.1299000      -1.661900     -0.3832000    
 H   -4.437900      -2.210200      0.3859000    
 H    2.336900      -2.628000     -0.7458000    
 H    4.771100      -2.212500     -0.6796000    
 H    5.461200     -0.6921000     -0.2225000    


%chk=000126283-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126283

0 1
O -3.328136 1.107643 -1.091343
O -1.011386 0.880840 -2.240663
O -5.044549 -0.935402 0.956353
O 1.272194 0.467599 2.290474
N 1.049486 -0.069112 0.010117
N 3.205023 -0.203852 1.139621
N 5.123187 -0.758779 -0.043295
C -2.640317 -0.368321 0.840823
C -0.409728 0.186988 0.126987
C -1.157258 -0.710599 1.150578
C -2.697211 -0.166299 -0.699180
C -1.210007 -0.083478 -1.173932
C -3.681036 -1.376315 1.336129
C 1.667173 -0.276615 -1.206145
C 1.853343 0.085562 1.233099
C 3.030556 -0.493522 -1.292566
C 3.772658 -0.486094 -0.053039
H -2.855421 0.621092 1.295648
H -0.540644 1.244445 0.430901
H -0.859122 -0.478067 2.182251
H -0.935305 -1.778547 0.951189
H -3.226857 -1.001343 -1.196083
H -0.915421 -1.074604 -1.571569
H -3.606334 -1.532458 2.431401
H -3.557953 -2.353060 0.836041
H -1.802291 1.490745 -2.211212
H -4.309330 1.001081 -1.038581
H 1.040527 -0.223953 -2.098599
H -5.328130 -0.218196 1.577964
H 3.506914 -0.646830 -2.262657
H 5.633021 -0.981325 -0.893285
H 5.607954 -0.720924 0.851873


