%chk=000159735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159735

0 1
 O   -3.623700      -1.861500      0.5085000    
 O   -1.984100      -1.364100       2.027700    
 O   -1.489100      0.3402000      -1.876500    
 O    1.305000      0.1312000      -1.767500    
 N  -0.1640000      7.3100001E-02  3.0500000E-02
 N    2.093000     -0.1242000      0.4308000    
 C   -2.548500      0.2251000      0.2652000    
 C   -3.855900      0.2215000     -0.5143000    
 C   -4.129200      -1.258400     -0.6894000    
 C   -2.441500       1.437600       1.183200    
 C   -2.660100      -1.058400       1.056900    
 C   -1.365400      0.2214000     -0.6607000    
 C   -5.603700      -1.580800     -0.8443000    
 C   -2.404700       2.712700      0.3982000    
 C    1.116100      3.5000000E-02 -0.5575000    
 C   -1.406600       3.601000      0.4631000    
 C    3.494400     -0.2086000      0.2589000    
 C    4.305800     -0.3672000       1.370400    
 C    4.026700     -0.1320000      -1.017700    
 C    5.687900     -0.4514000       1.200600    
 C    5.408600     -0.2163000      -1.187500    
 C    6.239100     -0.3760000     -7.8299999E-02
 H   -4.657500      0.6717000      8.7099999E-02
 H   -3.842400      0.7483000      -1.473900    
 H   -3.570000      -1.672200      -1.537000    
 H   -1.573300       1.370400       1.850900    
 H   -3.309100       1.475600       1.856000    
 H   -6.174100      -1.256400      3.2900002E-02
 H   -6.022300      -1.102600      -1.734800    
 H   -5.748400      -2.663400     -0.9264000    
 H   -3.255700       2.946300     -0.2363000    
 H  -0.1963000     -4.1499998E-02   1.039200    
 H   -1.446400       4.515400     -0.1186000    
 H  -0.5376000       3.433400       1.089600    
 H    1.765600     -0.1869000       1.391500    
 H    3.886700     -0.4273000       2.371000    
 H    3.452600     -9.2000002E-03  -1.923900    
 H    6.334600     -0.5758000       2.064200    
 H    5.839400     -0.1577000      -2.183000    
 H    7.315100     -0.4416000     -0.2106000    


%chk=000159735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159735

0 1
O -3.460948 -1.816397 0.772070
O -1.678257 -1.045431 2.038606
O -1.433569 0.526538 -2.014117
O 1.484716 0.898911 -1.654133
N -0.133270 0.171852 -0.073067
N 2.109566 -0.357582 0.246655
C -2.581615 0.352752 0.175988
C -3.886857 0.128031 -0.618803
C -4.166371 -1.389408 -0.510728
C -2.577035 1.671107 1.027447
C -2.503589 -0.873850 1.109722
C -1.326142 0.358100 -0.777702
C -5.629416 -1.799248 -0.405410
C -2.587897 2.922582 0.174532
C 1.198637 0.285477 -0.599353
C -1.675778 3.920158 0.268086
C 3.531817 -0.370187 0.144625
C 4.244300 -1.070131 1.156097
C 4.243284 0.273584 -0.902570
C 5.651818 -1.125640 1.124674
C 5.653582 0.210901 -0.915669
C 6.367573 -0.482857 0.087656
H -4.715325 0.696294 -0.159025
H -3.768405 0.442772 -1.668256
H -3.649913 -1.947108 -1.313546
H -1.702043 1.675315 1.702369
H -3.479737 1.643665 1.672154
H -6.120053 -1.289936 0.442248
H -6.159000 -1.521483 -1.334924
H -5.726442 -2.888785 -0.264940
H -3.403364 3.006609 -0.559144
H -0.251368 -0.088955 0.918704
H -1.730415 4.808466 -0.370102
H -0.839587 3.871885 0.976703
H 1.725809 -0.919461 1.011162
H 3.696734 -1.568217 1.967260
H 3.693267 0.800580 -1.683840
H 6.187733 -1.669196 1.910445
H 6.197076 0.709407 -1.726089
H 7.461486 -0.524715 0.062415


