%chk=000125849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125849

0 1
 O  -0.3263000     -4.6999999E-03  0.2039000    
 O    1.038000     -0.6350000      -1.544300    
 O   -2.754400       3.342900     -0.8717000    
 O   -1.438400       2.434400      0.7578000    
 N   -2.575200      -1.997800      0.4263000    
 C   -2.656200     -0.5388000      0.1655000    
 C   -1.463900     -6.2199999E-02 -0.6621000    
 C    2.003400     -0.2246000      0.6357000    
 C   -2.545500      -2.786000     -0.8904000    
 C   -1.304600      -2.340100       1.216300    
 C   -3.786200      -2.474000       1.240400    
 C   -1.679600       1.299000      -1.326100    
 C    2.087400       1.186000       1.246600    
 C    3.346100     -0.6234000     -3.1999999E-03
 C   0.8688000     -0.3174000     -0.3730000    
 C    2.351300       2.269400      0.1964000    
 C    3.521500      -2.141500     -0.1090000    
 C   -1.982600       2.469200     -0.3794000    
 C    2.449900       3.646900      0.8333000    
 C    4.846500      -2.502400     -0.7628000    
 H   -2.701700     -3.2299999E-02   1.137100    
 H   -3.596500     -0.3547000     -0.3682000    
 H   -1.279100     -0.7435000      -1.495100    
 H    1.775200     -0.9329000       1.442700    
 H   -3.337500      -2.405200      -1.541700    
 H   -1.563500      -2.708700      -1.362000    
 H   -2.729700      -3.839700     -0.6566000    
 H   -1.190200      -1.624100       2.035000    
 H   -1.429700      -3.346700       1.629900    
 H  -0.4432000      -2.366200      0.5488000    
 H   -3.789200      -1.933300       2.191300    
 H   -4.690200      -2.249700      0.6666000    
 H   -3.697900      -3.550900       1.411000    
 H   -2.495000       1.215100      -2.055600    
 H  -0.7769000       1.587200      -1.879400    
 H    1.154000       1.416900       1.774700    
 H    2.881700       1.206300       2.003400    
 H    4.170500     -0.2358000      0.6095000    
 H    3.457900     -0.1751000     -0.9982000    
 H    3.287300       2.071000     -0.3362000    
 H    1.549300       2.285700     -0.5496000    
 H    2.705300      -2.580500     -0.6930000    
 H    3.480900      -2.589800      0.8906000    
 H    3.267900       3.685900       1.559700    
 H    1.519600       3.908100       1.347800    
 H    2.638800       4.406100      6.7800000E-02
 H    4.905900      -2.097700      -1.778200    
 H    4.955000      -3.589800     -0.8238000    
 H    5.689300      -2.108900     -0.1855000    


%chk=000125849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125849

0 1
O -0.179567 -0.676618 -0.324760
O 1.256904 -0.088530 -2.069416
O -1.315942 2.218491 1.258243
O -3.387141 1.385008 0.563114
N -2.655260 -1.740863 0.673696
C -2.624049 -1.003665 -0.700052
C -1.355419 -0.216620 -1.132278
C 2.160613 -0.482251 0.219500
C -1.869927 -3.041301 0.574861
C -2.138454 -0.929009 1.876251
C -4.129092 -2.040534 0.941615
C -1.542307 1.316871 -1.003261
C 2.048748 0.816913 1.096193
C 3.570909 -0.713132 -0.369260
C 1.102223 -0.402682 -0.870826
C 2.425667 2.135071 0.379948
C 3.763530 -2.116484 -0.987834
C -2.119356 1.714528 0.386488
C 2.067190 3.357777 1.253453
C 5.188710 -2.327712 -1.542450
H -3.434435 -0.247887 -0.626396
H -2.857264 -1.799164 -1.429666
H -1.131348 -0.466080 -2.187719
H 1.891161 -1.335038 0.877207
H -2.302507 -3.666995 -0.222445
H -0.827801 -2.787700 0.337758
H -1.929917 -3.569020 1.540031
H -2.744562 -0.010263 1.954092
H -2.242886 -1.574926 2.764566
H -1.091127 -0.661559 1.697387
H -4.643304 -1.075472 1.069933
H -4.551526 -2.591251 0.086153
H -4.210045 -2.645493 1.858723
H -2.253941 1.621210 -1.794535
H -0.576307 1.813082 -1.193271
H 1.010918 0.916535 1.469285
H 2.707034 0.675926 1.977110
H 4.311731 -0.561765 0.441636
H 3.774637 0.053044 -1.140479
H 3.505036 2.142464 0.129134
H 1.879221 2.208338 -0.581092
H 3.028977 -2.257051 -1.805328
H 3.545355 -2.890233 -0.221979
H 2.597668 3.323851 2.224974
H 0.979556 3.368961 1.450378
H 2.344240 4.303665 0.752184
H 5.417007 -1.585676 -2.330103
H 5.307270 -3.334822 -1.982752
H 5.947479 -2.215236 -0.745011


