%chk=000057092.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057092

0 1
 O    1.557500      -1.513900      0.3083000    
 O    1.221700     -0.4992000      -1.727600    
 O   0.6311000       1.970100      -1.803600    
 N   -1.508300      0.3028000      0.4938000    
 N   0.4253000       3.201100      0.1100000    
 C  -0.2752000      0.5351000       1.239500    
 C   0.9627000      0.8053000      0.3294000    
 C   -2.677700      0.2806000       1.370100    
 C   -1.409800     -0.9153000     -0.3257000    
 C   -3.963900      0.3108000      0.5357000    
 C   -2.767000      -1.547600     -0.6660000    
 C   -3.864200     -0.4977000     -0.7603000    
 C    2.209300       1.100600       1.215200    
 C    1.243400     -0.4603000     -0.5029000    
 C   0.6490000       2.025000     -0.5749000    
 C    3.485700       1.435400      0.4446000    
 C    1.879600      -2.737600     -0.3602000    
 C    2.200700      -3.795000      0.6745000    
 H  -7.4600004E-02 -0.3111000       1.911800    
 H  -0.4171000       1.402000       1.897900    
 H   -2.663700     -0.6074000       2.015900    
 H   -2.689500       1.153900       2.033900    
 H  -0.9977000     -0.6475000      -1.298100    
 H  -0.8384000      -1.710800      0.1589000    
 H   -4.787100     -7.6499999E-02   1.148400    
 H   -4.224800       1.346200      0.2839000    
 H   -2.694800      -2.106600      -1.606200    
 H   -3.037800      -2.272900      0.1124000    
 H   -4.828600     -0.9661000     -0.9856000    
 H   -3.642400      0.1803000      -1.594200    
 H    2.000000       1.934800       1.896300    
 H    2.421000      0.2412000       1.864300    
 H    4.307000       1.616800       1.145500    
 H    3.783000      0.6119000     -0.2115000    
 H    3.362800       2.335900     -0.1641000    
 H   0.2226000       4.059300     -0.3920000    
 H   0.4448000       3.268200       1.121600    
 H    1.026900      -3.060500     -0.9677000    
 H    2.748500      -2.580000      -1.008900    
 H    1.347300      -3.950900       1.342700    
 H    3.041100      -3.478300       1.300900    
 H    2.454100      -4.745600      0.1969000    


%chk=000057092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057092

0 1
O 1.606311 -1.682059 0.269099
O 2.305261 -0.373222 -1.516033
O -0.062046 1.312125 -1.839123
N -1.471172 0.035575 0.651279
N 0.243388 2.978914 -0.273447
C -0.164875 0.212943 1.293813
C 0.989483 0.674615 0.320051
C -2.645150 0.204207 1.535002
C -1.574708 -1.147950 -0.243897
C -3.901181 0.566410 0.690231
C -3.048498 -1.404112 -0.655818
C -3.815580 -0.066704 -0.727468
C 2.126477 1.299279 1.214880
C 1.664156 -0.478189 -0.449004
C 0.365547 1.667462 -0.707113
C 3.349514 1.865310 0.463317
C 2.320729 -2.838993 -0.351180
C 2.090626 -4.039605 0.561300
H 0.196006 -0.701089 1.822132
H -0.278873 1.012882 2.051132
H -2.846497 -0.715384 2.142585
H -2.430147 1.013592 2.257701
H -0.971462 -0.937180 -1.147251
H -1.148957 -2.059887 0.244319
H -4.806035 0.208146 1.220316
H -3.987438 1.665084 0.597201
H -3.066457 -1.925784 -1.630426
H -3.546234 -2.073114 0.074812
H -4.830076 -0.212971 -1.144361
H -3.270903 0.614044 -1.406948
H 1.675385 2.092767 1.846853
H 2.452598 0.512447 1.923813
H 4.067227 2.302112 1.181742
H 3.872614 1.083132 -0.111485
H 3.053838 2.652733 -0.252128
H -0.243231 3.632032 -0.886657
H 0.581585 3.301536 0.629819
H 1.915205 -2.992162 -1.367392
H 3.390145 -2.575949 -0.446982
H 1.014908 -4.272368 0.642807
H 2.483412 -3.847988 1.574754
H 2.607606 -4.926134 0.150655


