%chk=000115546.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115546

0 1
 O  -0.4979000     -0.9265000      -2.273500    
 O  -0.2076000       1.578500       1.807100    
 O   -4.180600     -0.1287000      0.3170000    
 N   -2.304200     -0.5461000     -0.9352000    
 N   -2.165300      0.6895000       1.046700    
 C  -5.9500001E-02  8.3200000E-02 -0.1043000    
 C   0.7116000      -1.064400      0.6572000    
 C    1.083800      0.9272000     -0.7723000    
 C    2.187500     -0.9372000      0.2200000    
 C    2.357300      0.5767000      1.5000000E-02
 C   0.1654000      -2.482000      0.4882000    
 C   0.8176000       2.424800     -0.9092000    
 C  -0.9505000     -0.4871000      -1.214800    
 C  -0.7963000      0.8758000      0.9836000    
 C    3.163100      -1.519500       1.237600    
 C    3.640000      0.9469000     -0.7217000    
 C   -2.964400     -1.1200000E-02  0.1586000    
 H   0.6726000     -0.8607000       1.737500    
 H    1.239800      0.5699000      -1.799900    
 H    2.331500      -1.457800     -0.7369000    
 H    2.352400       1.090800      0.9851000    
 H  -0.8908000      -2.530300      0.7714000    
 H   0.2696000      -2.841700     -0.5400000    
 H   0.7045000      -3.183300       1.133300    
 H    1.552500       2.883900      -1.579000    
 H  -0.1731000       2.606600      -1.338400    
 H   0.8865000       2.950600      4.7100000E-02
 H    3.078900      -1.014300       2.205600    
 H    2.976000      -2.586000       1.396200    
 H    4.196900      -1.417800      0.8936000    
 H    3.695400       2.026400     -0.8934000    
 H    4.522800      0.6641000     -0.1401000    
 H    3.702100      0.4463000      -1.693700    
 H   -2.887300      -1.001200      -1.632200    
 H   -2.645300       1.145600       1.817700    


%chk=000115546-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115546

0 1
O -0.408976 -1.304471 -2.075420
O -0.329510 1.266244 2.062061
O -4.282839 0.457680 -0.226986
N -2.304441 -0.442423 -1.091675
N -2.254099 0.876980 0.859285
C -0.066489 -0.027711 -0.007753
C 0.808503 -1.139488 0.746929
C 1.029230 0.925437 -0.696039
C 2.250150 -0.975545 0.190559
C 2.372644 0.558275 -0.008992
C 0.245806 -2.571494 0.709477
C 0.684007 2.425159 -0.718830
C -0.910002 -0.642183 -1.127341
C -0.864438 0.743819 1.047404
C 3.320642 -1.585351 1.114280
C 3.601294 1.000258 -0.825244
C -3.037803 0.308741 -0.158480
H 0.839937 -0.798703 1.801444
H 1.099177 0.562011 -1.741211
H 2.303476 -1.462502 -0.806445
H 2.401518 1.039288 0.991835
H -0.786400 -2.620226 1.106018
H 0.244805 -2.981500 -0.315210
H 0.865265 -3.232613 1.341809
H 1.446764 2.976020 -1.297697
H -0.291309 2.617506 -1.205492
H 0.655746 2.852548 0.298791
H 3.285198 -1.120822 2.118719
H 3.180192 -2.674634 1.238246
H 4.335792 -1.431798 0.705063
H 3.633697 2.097708 -0.952794
H 4.540463 0.702120 -0.324844
H 3.591388 0.539975 -1.832214
H -2.849369 -0.863951 -1.851257
H -2.765017 1.416644 1.565903


