%chk=000080122.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080122

0 1
 O  -0.5242000       1.695600      2.2000000E-03
 O   -2.664700       2.482900     -3.5999998E-02
 N    3.998300      8.2400002E-02  5.5000000E-03
 N    4.891400     -0.9287000     -2.4000001E-03
 C  -0.1127000     -0.6967000     -7.7000000E-03
 C   0.3677000      0.6072000      1.2000001E-03
 C    2.638800     -0.1715000      4.6000001E-03
 C   -2.406700      0.1177000     -1.5200000E-02
 C    1.732800      0.8866000      7.4999998E-03
 C   -1.550000     -0.9151000     -1.0200000E-02
 C   0.8022000      -1.752600     -1.0300000E-02
 C    2.174900      -1.488600     -4.4999998E-03
 C   -3.856000     -0.1552000     -1.8000000E-03
 C   -1.905300       1.519500     -1.4800000E-02
 C    4.586600       1.319600      1.4000000E-02
 C    6.071200     -0.3025000      1.7000000E-03
 C    5.942400       1.099300      1.2000000E-02
 C   -4.533100     -0.2714000       1.211700    
 C   -4.548600     -0.2950000      -1.204000    
 C    7.316600      -1.088100     -4.4999998E-03
 C   -5.904200     -0.5274000       1.223000    
 C   -5.919800     -0.5510000      -1.192700    
 C   -6.597600     -0.6672000      2.0800000E-02
 H    2.028300       1.929600      1.3200000E-02
 H   -1.901600      -1.943000     -4.9999999E-03
 H   0.4610000      -2.784900     -1.6700000E-02
 H    2.849100      -2.341400     -7.6000001E-03
 H    4.047400       2.255600      2.1299999E-02
 H    6.720400       1.848800      1.7300000E-02
 H   -4.006700     -0.1636000       2.156900    
 H   -4.034600     -0.2059000      -2.158000    
 H    8.197900     -0.4385000      3.0000001E-04
 H    7.371400      -1.733600      0.8782000    
 H    7.371100      -1.720000     -0.8970000    
 H   -6.432100     -0.6175000       2.167800    
 H   -6.459700     -0.6596000      -2.128800    
 H   -7.665200     -0.8663000      2.9600000E-02


%chk=000080122-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080122

0 1
O -0.539539 1.630786 0.553541
O -2.653538 2.453827 0.843262
N 4.052061 0.148910 0.051823
N 4.959404 -0.886622 -0.233553
C -0.129409 -0.686878 -0.114280
C 0.353253 0.605522 0.241627
C 2.654989 -0.112959 0.003459
C -2.474389 0.109362 0.138647
C 1.724480 0.906985 0.304520
C -1.553360 -0.893116 -0.147504
C 0.837115 -1.693271 -0.405769
C 2.207755 -1.420663 -0.351779
C -3.940492 -0.137967 0.059552
C -1.985330 1.449775 0.531720
C 4.712124 1.336720 0.352367
C 6.189568 -0.314194 -0.103707
C 6.079462 1.073600 0.259972
C -4.865317 0.518509 0.920018
C -4.447604 -1.081170 -0.880586
C 7.438307 -1.121065 -0.334355
C -6.242904 0.219819 0.854686
C -5.824538 -1.375448 -0.945391
C -6.731011 -0.728770 -0.072856
H 2.020965 1.919677 0.586857
H -1.919689 -1.896880 -0.391581
H 0.493681 -2.697539 -0.678231
H 2.957275 -2.182031 -0.574066
H 4.185967 2.254560 0.599019
H 6.892285 1.776026 0.429316
H -4.503981 1.264088 1.631954
H -3.765036 -1.560821 -1.591807
H 8.335587 -0.497867 -0.188280
H 7.494650 -1.976300 0.362486
H 7.464795 -1.529859 -1.360169
H -6.936679 0.733292 1.529424
H -6.191958 -2.095813 -1.684714
H -7.802249 -0.952724 -0.124023


