%chk=000107697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107697

0 1
 O    4.222300      0.5165000     -0.9978000    
 O   -4.545500      -2.154000      -1.176700    
 N    1.829000      0.3166000      0.2345000    
 C  -0.1274000       1.804400      0.6275000    
 C  -0.8633000       1.133800     -0.6040000    
 C   0.8058000      0.7065000       1.231500    
 C   0.2022000      0.6336000      -1.624100    
 C    1.283100     -0.2574000     -0.9954000    
 C    4.017300     -0.6581000     -0.2285000    
 C  -2.7100001E-02 -0.4631000       1.799500    
 C   -1.652100     -0.1185000     -0.1491000    
 C    2.896700     -0.5129000      0.7830000    
 C   -1.774300       2.156000      -1.326500    
 C   -1.127700       2.334300       1.691100    
 C   0.7374000       3.039100      0.2389000    
 C    5.195400      -1.481800      0.1399000    
 C    4.211900      -1.977700     -0.8791000    
 C   -1.219100     -0.8705000      0.9663000    
 C   -2.773800     -0.5841000     -0.8621000    
 C   -2.863100       2.644100     -0.4030000    
 C   -1.925100      -2.022300       1.356800    
 C   -3.462100      -1.733500     -0.4670000    
 C   -3.040500      -2.450900      0.6443000    
 H    1.348400       1.154200       2.076300    
 H   0.6902000       1.491500      -2.104300    
 H  -0.2784000      7.5800002E-02  -2.439500    
 H   0.8800000      -1.261200     -0.8126000    
 H    2.046500     -0.3834000      -1.769900    
 H  -0.4120000     -0.1593000       2.782800    
 H   0.6005000      -1.340100       1.988600    
 H    3.319400     -2.3700001E-02   1.669300    
 H    2.536300      -1.499200       1.096400    
 H   -2.216400       1.723400      -2.231400    
 H   -1.197300       3.012800      -1.693100    
 H   -1.446400       3.365400       1.535200    
 H   -1.978800       1.680800       1.890500    
 H  -0.6008000       2.392500       2.655200    
 H   0.1232000       3.867200     -0.1294000    
 H    1.282700       3.413700       1.113900    
 H    1.482800       2.820400     -0.5303000    
 H    5.208600      -1.972700       1.105500    
 H    6.172300      -1.173500     -0.2127000    
 H    4.529500      -2.000300      -1.914800    
 H    3.573000      -2.806300     -0.5987000    
 H   -3.128700     -7.3899999E-02  -1.752200    
 H   -3.267500       1.927600      0.3114000    
 H   -2.627800       3.606100      5.3900000E-02
 H   -3.726500       2.893500      -1.037400    
 H   -1.601600      -2.592600       2.224500    
 H    4.929800      0.4041000      -1.655300    
 H   -3.566700      -3.345800      0.9643000    
 H   -4.897600      -2.962300     -0.7659000    


%chk=000107697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107697

0 1
O 4.606867 0.833032 -0.269593
O -4.739191 -2.050071 -1.037148
N 1.778322 0.147518 0.191974
C -0.092965 1.771670 0.615663
C -0.922346 1.095953 -0.561581
C 0.825781 0.652456 1.213940
C 0.104498 0.503364 -1.600344
C 1.138860 -0.459150 -0.990837
C 4.178873 -0.544332 -0.124534
C -0.036110 -0.454622 1.893690
C -1.734276 -0.106730 -0.019376
C 2.918247 -0.604622 0.733645
C -1.807192 2.094571 -1.384632
C -0.994174 2.321904 1.758608
C 0.812238 2.935623 0.131545
C 5.239240 -1.635203 0.048388
C 4.428046 -1.534617 -1.268274
C -1.272464 -0.863545 1.100617
C -2.893553 -0.551528 -0.701776
C -3.047607 2.737828 -0.720687
C -1.991791 -2.014980 1.502238
C -3.595167 -1.700740 -0.287410
C -3.151038 -2.447704 0.827496
H 1.446598 1.128630 1.999773
H 0.634662 1.342846 -2.087313
H -0.461432 -0.031138 -2.388132
H 0.655079 -1.440192 -0.749726
H 1.920382 -0.662746 -1.743994
H -0.353894 -0.090622 2.892139
H 0.596455 -1.344253 2.088519
H 3.172161 -0.172144 1.720288
H 2.686124 -1.690337 0.901372
H -2.143394 1.556540 -2.294219
H -1.146031 2.896655 -1.765087
H -1.416432 3.303558 1.488787
H -1.832990 1.649095 2.006375
H -0.387235 2.471255 2.673204
H 0.235609 3.711289 -0.404170
H 1.276774 3.422569 1.010797
H 1.633897 2.573843 -0.506876
H 5.027488 -2.471729 0.722139
H 6.292156 -1.333697 0.026608
H 4.946954 -1.169444 -2.161823
H 3.681801 -2.308982 -1.469634
H -3.278910 -0.015693 -1.572575
H -3.650979 1.992990 -0.173005
H -2.777927 3.538930 -0.013104
H -3.695862 3.189825 -1.495051
H -1.630713 -2.589321 2.364832
H 5.445583 0.859134 -0.794867
H -3.689555 -3.345001 1.159236
H -5.162769 -2.863136 -0.665804


