%chk=000118016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118016

0 1
 O   0.2109000     -0.1409000      -1.281300    
 O   0.9564000      -2.278600       1.340400    
 N   -1.949800      0.4907000     -0.9278000    
 N  -0.8112000      -1.028600      0.5206000    
 C   -3.182000      0.5367000     -0.1609000    
 C   -2.906200       1.146800       1.231400    
 C    1.189400      -1.019300     -0.7124000    
 C   -4.172700       1.429100     -0.9220000    
 C  -0.9033000     -0.2485000     -0.5036000    
 C   -2.365000       2.574900       1.211100    
 C    2.414900     -0.2528000     -0.3723000    
 C   0.4640000      -1.532200      0.5048000    
 C   -3.746100     -0.8233000     -4.2300001E-02
 C    2.347000       1.128800     -0.1683000    
 C    3.644700     -0.9073000     -0.2536000    
 C    3.498000       1.849000      0.1513000    
 C    4.795700     -0.1871000      6.6100001E-02
 C    4.722300       1.191100      0.2686000    
 C   -4.207000      -1.928400      5.0099999E-02
 H   -2.218800      0.5278000       1.818400    
 H   -3.840200       1.153100       1.811200    
 H   -1.860100       1.073700      -1.754500    
 H    1.376200      -1.830900      -1.422800    
 H   -5.098400       1.576100     -0.3531000    
 H   -3.754700       2.414100      -1.157200    
 H   -4.452700      0.9757000      -1.881900    
 H   -3.097300       3.282300      0.8123000    
 H   -1.444700       2.651900      0.6246000    
 H   -2.133200       2.894200       2.232900    
 H    1.410200       1.674600     -0.2381000    
 H    3.714800      -1.981100     -0.4080000    
 H    3.440900       2.921600      0.3120000    
 H    5.749000     -0.6994000      0.1579000    
 H    5.618300       1.751700      0.5185000    
 H   -4.614900      -2.908600      0.1321000    


%chk=000118016-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118016

0 1
O 0.187925 -0.169941 -1.351553
O 1.083031 -2.288854 1.425882
N -1.971676 0.506899 -0.830412
N -0.744873 -0.943887 0.666951
C -3.298777 0.558946 -0.129553
C -3.126093 0.947997 1.378068
C 1.256615 -0.987598 -0.710394
C -4.148785 1.607031 -0.898929
C -0.898232 -0.216140 -0.438101
C -2.430319 2.302393 1.617267
C 2.513634 -0.173667 -0.452064
C 0.553412 -1.509035 0.605060
C -3.962700 -0.769032 -0.218311
C 2.608649 1.188646 -0.823669
C 3.614988 -0.808627 0.177575
C 3.796009 1.911409 -0.565955
C 4.797710 -0.081734 0.432687
C 4.893856 1.279943 0.060886
C -4.539707 -1.854403 -0.292221
H -2.553346 0.141382 1.866180
H -4.139176 0.950993 1.822643
H -1.901826 0.958004 -1.745631
H 1.452803 -1.844015 -1.379973
H -5.131995 1.711904 -0.413252
H -3.650058 2.591743 -0.897022
H -4.319351 1.288002 -1.942979
H -3.016662 3.157084 1.233717
H -1.430568 2.329039 1.147827
H -2.288983 2.458619 2.701460
H 1.760924 1.672555 -1.317588
H 3.532425 -1.855442 0.489243
H 3.863018 2.965670 -0.857666
H 5.641464 -0.577341 0.925404
H 5.813613 1.841549 0.258932
H -5.022551 -2.813196 -0.340307


