%chk=000107896.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107896

0 1
 O   -5.712600       1.549900      0.3112000    
 O    6.187500       2.756300     -3.6600001E-02
 O    4.808400       2.093400       1.639900    
 N    1.441500      -1.136200     -0.6055000    
 N   0.2572000     -0.4585000     -0.5453000    
 N    2.757800      -3.070300     -0.2052000    
 C    2.540500     -0.3731000      -1.178800    
 C    3.284700      0.4045000     -9.3400002E-02
 C    4.425400       1.277400     -0.6237000    
 C  -0.7507000      -1.096300     -3.2800000E-02
 C    1.614300      -2.441900     -0.1537000    
 C   -2.060400     -0.3975000      5.8400001E-02
 C  -0.7165000      -2.499100      0.4654000    
 C   0.4403000      -3.161200      0.4120000    
 C   -2.953800     -0.7285000       1.074200    
 C   -2.388100      0.5854000     -0.8727000    
 C    5.124000       2.070500      0.4586000    
 C   -4.182300     -7.3299997E-02   1.159400    
 C   -3.616500       1.240800     -0.7874000    
 C   -4.513600      0.9115000      0.2287000    
 C   -5.987100       2.546300     -0.6727000    
 H    3.235400      -1.030800      -1.714700    
 H    2.153800      0.3274000      -1.930400    
 H    3.684600     -0.2958000      0.6515000    
 H    2.572400       1.039600      0.4499000    
 H    5.170200      0.6395000      -1.112500    
 H    4.031900       1.988400      -1.358600    
 H   -1.604800      -3.000300      0.8261000    
 H   0.5362000      -4.187100      0.7435000    
 H   -2.722200      -1.460000       1.842100    
 H   -1.707900      0.8525000      -1.677100    
 H   -4.874100     -0.3279000       1.957800    
 H   -3.810600       1.993700      -1.543800    
 H    2.674300      -4.019000      0.1747000    
 H    6.652000       3.264500      0.6621000    
 H   -6.981200       2.950400     -0.4548000    
 H   -5.281300       3.381200     -0.6076000    
 H   -6.030300       2.116600      -1.679300    


%chk=000107896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107896

0 1
O -5.933642 1.432900 0.024649
O 6.347398 2.636910 -0.446369
O 4.966111 2.300163 1.388498
N 1.426609 -1.177879 -0.493456
N 0.195657 -0.579817 -0.489367
N 3.010059 -2.844381 0.033053
C 2.503339 -0.388335 -1.127732
C 3.299700 0.431650 -0.089769
C 4.457845 1.183464 -0.769752
C -0.844774 -1.217850 0.087715
C 1.750220 -2.442419 0.091979
C -2.155146 -0.520940 0.062804
C -0.654600 -2.524999 0.690538
C 0.589662 -3.112089 0.683972
C -3.335113 -1.116238 0.595631
C -2.269194 0.778713 -0.500646
C 5.231066 2.065479 0.190286
C -4.568615 -0.444630 0.566811
C -3.497990 1.464677 -0.536742
C -4.658918 0.850932 0.001212
C -6.076535 2.776338 -0.543233
H 3.176638 -1.104200 -1.630406
H 2.020428 0.270334 -1.869153
H 3.700471 -0.253782 0.676833
H 2.627507 1.145949 0.419152
H 5.171883 0.478187 -1.236863
H 4.091526 1.830596 -1.592526
H -1.498289 -3.044423 1.151855
H 0.754789 -4.097014 1.133243
H -3.307909 -2.116476 1.039334
H -1.370075 1.246273 -0.912123
H -5.474265 -0.902775 0.975404
H -3.539650 2.464855 -0.978349
H 3.136589 -3.778839 0.463959
H 6.831678 3.214510 0.204336
H -7.139203 3.029586 -0.415970
H -5.450278 3.510500 -0.000453
H -5.816575 2.788068 -1.619456


