%chk=000086356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086356

0 1
 O   -1.142700      -1.165800      0.6427000    
 N   -2.837400      -1.888000     -0.7335000    
 N   -4.683800     -0.4369000      -1.273900    
 C    4.715600       1.176600     -0.5239000    
 C    3.681000      0.2007000     -7.5499997E-02
 C    4.543500       1.529800      -2.033900    
 C    6.154300      0.6027000     -0.3363000    
 C    4.714200       2.549500      0.2272000    
 C    3.597200      -1.053800     -0.6795000    
 C    2.796700      0.5425000      0.9477000    
 C    1.757600      -1.612700      0.7576000    
 C    2.629200      -1.966400     -0.2603000    
 C    1.828800     -0.3701000       1.367000    
 C   0.7102000      -2.600500       1.211200    
 C  -0.5936000      -2.461100      0.4331000    
 C   -2.329300     -0.8902000      1.3900000E-02
 C   -2.935800      0.3535000      0.1652000    
 C   -4.148400      0.5383000     -0.5189000    
 C   -2.385400       1.380400      0.9518000    
 C   -4.785200       1.770400     -0.3916000    
 C   -3.043100       2.601600       1.061300    
 C   -4.244300       2.796500      0.3888000    
 C   -3.999400      -1.597000      -1.340100    
 H    5.285600       2.268600      -2.357800    
 H    4.662200      0.6501000      -2.676000    
 H    3.547600       1.946700      -2.225000    
 H    6.315500     -0.3012000     -0.9339000    
 H    6.916500       1.330200     -0.6388000    
 H    6.335500      0.3419000      0.7131000    
 H    5.500500       3.210700     -0.1570000    
 H    3.761700       3.076800      9.8700002E-02
 H    4.900200       2.420700       1.299900    
 H    4.272300      -1.345900      -1.478700    
 H    2.817000       1.502800       1.451000    
 H    2.569900      -2.940200     -0.7378000    
 H    1.145000     -9.4200000E-02   2.164800    
 H   0.5197000      -2.448200       2.281500    
 H    1.096000      -3.622400       1.110600    
 H   -1.293600      -3.225900      0.7926000    
 H  -0.4023000      -2.620100     -0.6361000    
 H   -1.447000       1.242800       1.483100    
 H   -5.726700       1.948500     -0.9079000    
 H   -2.621000       3.397000       1.667800    
 H   -4.764200       3.746800      0.4689000    
 H   -4.436000      -2.378600      -1.949900    


%chk=000086356-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086356

0 1
O -1.251346 -1.234960 0.683029
N -2.884367 -1.848245 -0.903983
N -4.730048 -0.341100 -1.450872
C 4.849393 1.226669 -0.596237
C 3.760984 0.256507 -0.078021
C 4.670550 1.430700 -2.131311
C 6.258020 0.618748 -0.319816
C 4.778808 2.615667 0.089673
C 3.675002 -1.060926 -0.607133
C 2.821949 0.613920 0.922413
C 1.756833 -1.605703 0.837020
C 2.696991 -1.972120 -0.160000
C 1.839735 -0.298754 1.371190
C 0.679217 -2.582242 1.288088
C -0.589675 -2.547010 0.422318
C -2.393443 -0.952741 -0.029495
C -3.014970 0.329099 0.216799
C -4.216426 0.589745 -0.540598
C -2.516144 1.302517 1.131098
C -4.894193 1.832365 -0.354359
C -3.200090 2.513039 1.294404
C -4.392160 2.775780 0.549627
C -4.042050 -1.485483 -1.576899
H 5.451688 2.110630 -2.520704
H 4.747688 0.475543 -2.680990
H 3.682126 1.871038 -2.357261
H 6.384214 -0.360762 -0.814977
H 7.047645 1.295011 -0.698434
H 6.417005 0.472337 0.764295
H 5.570188 3.270333 -0.319305
H 3.807438 3.113042 -0.089203
H 4.937103 2.542225 1.181635
H 4.384392 -1.384993 -1.378002
H 2.848373 1.614779 1.363538
H 2.665413 -2.982868 -0.587510
H 1.124540 0.010495 2.142953
H 0.390439 -2.388265 2.337728
H 1.066250 -3.619155 1.244853
H -1.298959 -3.350497 0.691609
H -0.366601 -2.622157 -0.656375
H -1.601081 1.085822 1.690152
H -5.802709 2.012184 -0.936722
H -2.822913 3.266089 1.994683
H -4.915811 3.728028 0.689109
H -4.424695 -2.227431 -2.284806


