%chk=000171161.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171161

0 1
 O   -3.031500       2.721400     -0.2238000    
 O    1.006700     -0.9926000       1.944900    
 O    4.136800       1.644200      -1.304400    
 O   -2.211500      -3.731300     -0.7761000    
 N    3.508000     -2.4700001E-02  0.1933000    
 N  -0.6620000      -2.272400      0.2584000    
 C    1.668500       1.220500       1.245200    
 C  -0.6071000      0.1252000      0.6530000    
 C    3.139800      0.8228000       1.295400    
 C   0.6883000      3.4400001E-02   1.315100    
 C   -1.244700      -1.007100      0.1461000    
 C   -1.207600       1.378100      0.5289000    
 C   -2.445600       1.498700     -0.1021000    
 C   -2.482800     -0.8866000     -0.4849000    
 C   -3.083200      0.3664000     -0.6091000    
 C    3.977700      0.4600000      -1.019700    
 C    4.312800     -0.6418000      -1.989000    
 C   -1.165700      -3.487700     -0.1909000    
 C   -4.297100       2.772300     -0.8804000    
 H    1.442400       1.884200       2.087300    
 H    1.493200       1.771300      0.3135000    
 H    3.359600      0.2699000       2.214600    
 H    3.766100       1.721400       1.282100    
 H  -0.7419000       2.274400      0.9300000    
 H   -3.037900      -1.714900     -0.9023000    
 H    3.414200      -1.028600      0.3188000    
 H   -4.045000      0.3897000      -1.110200    
 H   0.2424000      -2.317600      0.7195000    
 H    4.455800     -0.2220000      -2.988500    
 H    5.233300      -1.138800      -1.671100    
 H    3.499400      -1.372000      -2.029800    
 H  -0.4550000      -4.294800      5.6800000E-02
 H   -5.059300       2.211000     -0.3293000    
 H   -4.221300       2.453700      -1.925600    
 H   -4.615200       3.820000     -0.8882000    


%chk=000171161-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171161

0 1
O -3.090678 2.762939 -0.337084
O 1.284446 -1.300093 0.688503
O 5.006311 1.835253 -0.661953
O -2.886344 -3.916201 -0.030030
N 3.764604 0.024126 0.110226
N -1.027304 -2.473827 0.281756
C 1.580707 1.106765 0.714646
C -0.726952 -0.026810 0.255457
C 3.037391 0.798356 1.122369
C 0.722312 -0.149157 0.555914
C -1.584485 -1.185766 0.122358
C -1.296369 1.264359 0.089273
C -2.663908 1.435327 -0.196439
C -2.963091 -0.996922 -0.163785
C -3.498826 0.293790 -0.321224
C 4.708437 0.601188 -0.724393
C 5.374205 -0.347453 -1.718475
C -1.662915 -3.706117 0.204124
C -4.506868 2.991900 -0.641962
H 1.121605 1.769531 1.474755
H 1.578505 1.676112 -0.235829
H 3.048593 0.244540 2.078597
H 3.584872 1.747648 1.252032
H -0.683170 2.164733 0.173960
H -3.599515 -1.878924 -0.259550
H 3.501406 -0.958007 0.011796
H -4.565577 0.396912 -0.541448
H -0.004677 -2.448269 0.481585
H 5.249566 0.053674 -2.738763
H 6.458192 -0.380718 -1.511970
H 4.972949 -1.375042 -1.683046
H -0.942264 -4.535927 0.379238
H -5.159680 2.605866 0.164710
H -4.790488 2.528645 -1.606728
H -4.610390 4.084267 -0.711119


