%chk=000162922.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162922

0 1
 O   -1.966000       1.105900     -3.9999999E-04
 O    2.550200       3.067200       0.000000    
 N   -1.826400      -1.161300      1.1000000E-03
 N   -4.228000      -1.588500      1.3000000E-03
 C    3.459500      -1.733800     -3.0000001E-04
 C    2.464900     -0.5479000      3.9999999E-04
 C    3.240000      -2.601200      -1.258900    
 C    3.246100      -2.598000       1.261500    
 C    4.939200      -1.290500     -4.4000000E-03
 C    1.127300     -0.8324000      1.9999999E-04
 C    2.979200      0.7194000      5.0000002E-04
 C   0.2314000      0.2366000     -9.9999997E-05
 C    2.083200       1.788400      1.9999999E-04
 C   0.7094000       1.547100     -9.9999997E-05
 C   -1.189200     -1.3400000E-02 -9.9999997E-05
 C   -3.233700      0.6039000       0.000000    
 C   -3.141900     -0.7781000      8.9999998E-04
 C   -4.438300       1.286100     -6.0000003E-04
 C    3.966200       3.241100      3.9999999E-04
 C   -5.565700      0.4675000     -1.2000001E-03
 C   -5.407400     -0.9180000     -3.9999999E-04
 H    3.967000      -3.420500      -1.305200    
 H    2.244700      -3.057800      -1.282500    
 H    3.350800      -2.005500      -2.172800    
 H    2.250200      -3.053000       1.291500    
 H    3.972400      -3.418100       1.305600    
 H    3.362600      -2.000200       2.173200    
 H    5.602600      -2.164900     -6.0000001E-03
 H    5.195600     -0.7099000     -0.8985000    
 H    5.200500     -0.7097000      0.8882000    
 H   0.7580000      -1.852800      5.0000002E-04
 H    4.042000      0.8942000      7.9999998E-04
 H   3.9000001E-02   2.403300     -3.0000001E-04
 H   -4.501200       2.366100     -1.3000000E-03
 H    4.423100       2.838600     -0.9102000    
 H    4.422600       2.838900      0.9114000    
 H    4.157400       4.319300      3.0000001E-04
 H   -6.559100      0.9047000     -2.2000000E-03
 H   -6.285300      -1.559000     -5.0000002E-04


%chk=000162922-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162922

0 1
O -2.037485 1.230278 -0.000074
O 2.587731 3.187253 -0.000074
N -1.801887 -1.090185 -0.000049
N -4.227295 -1.625068 -0.000025
C 3.500736 -1.823030 -0.000354
C 2.563881 -0.590748 -0.000019
C 3.216646 -2.680823 -1.270583
C 3.221057 -2.678514 1.272407
C 5.001240 -1.433429 -0.003259
C 1.163673 -0.783174 -0.000009
C 3.063896 0.738475 -0.000123
C 0.277953 0.327417 -0.000002
C 2.176570 1.844474 -0.000071
C 0.779505 1.649909 0.000000
C -1.158315 0.071452 -0.000012
C -3.319857 0.660190 -0.000066
C -3.179412 -0.762696 -0.000031
C -4.573629 1.277580 -0.000091
C 4.026254 3.462254 -0.000095
C -5.671751 0.380726 -0.000085
C -5.456181 -1.026421 -0.000049
H 3.869134 -3.574098 -1.280769
H 2.168451 -3.026464 -1.303044
H 3.409963 -2.099494 -2.190853
H 2.173198 -3.024738 1.308864
H 3.874089 -3.571395 1.282271
H 3.416943 -2.095296 2.190935
H 5.618017 -2.350496 -0.002407
H 5.274188 -0.850888 -0.903219
H 5.276700 -0.847423 0.893683
H 0.726205 -1.785793 -0.000072
H 4.142706 0.907348 -0.000172
H 0.111636 2.514611 0.000029
H -4.701346 2.362998 -0.000116
H 4.515847 3.053160 -0.905364
H 4.515884 3.053103 0.905127
H 4.106969 4.559135 -0.000064
H -6.696744 0.763313 -0.000108
H -6.312273 -1.709699 -0.000055


