%chk=000004891.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004891

0 1
 O   -3.109000       2.133500      0.3523000    
 O    1.317600       3.924000     -0.1306000    
 N    1.793600       1.652700      4.9500000E-02
 N  -0.9548000       1.251700      0.4042000    
 C    1.374100      0.3889000      0.6720000    
 C   -2.877300     -0.1470000     -0.2311000    
 C  -6.6699997E-02  9.5100001E-02  0.2420000    
 C   -3.211200     -0.9955000      0.9979000    
 C   -4.103800      5.1600002E-02  -1.124400    
 C   -2.336700       1.184400      0.1985000    
 C   -3.852500      -2.324700      0.6083000    
 C   -4.743300      -1.280000      -1.508900    
 C    2.280400     -0.7930000      0.3756000    
 C    3.150600       1.766200     -0.4742000    
 C  -0.3595000       2.515700      0.8293000    
 C   -5.076200      -2.120400     -0.2799000    
 C    3.495800      0.5747000      -1.355500    
 C   0.9758000       2.777000      0.1579000    
 C    3.291800     -0.7084000     -0.5980000    
 C    2.112300      -1.996400       1.078800    
 C    4.084400      -1.828600     -0.8822000    
 C    2.916500      -3.101900      0.8010000    
 C    3.898200      -3.019600     -0.1825000    
 H    1.406400      0.5714000       1.755300    
 H   -2.146400     -0.6825000     -0.8446000    
 H  -8.2400002E-02 -0.1687000     -0.8236000    
 H  -0.4626000     -0.7551000      0.7996000    
 H   -2.329200      -1.189700       1.614900    
 H   -3.906100     -0.4430000       1.645100    
 H   -4.859900      0.6627000     -0.6141000    
 H   -3.823800      0.5997000      -2.032600    
 H   -4.142200      -2.872900       1.511900    
 H   -3.116300      -2.943800      8.0899999E-02
 H   -4.058900      -1.839000      -2.158900    
 H   -5.655200      -1.097300      -2.088600    
 H    3.825000       1.827300      0.3891000    
 H    3.258900       2.696700      -1.041400    
 H  -0.2100000       2.470600       1.913700    
 H   -1.035000       3.348200      0.6090000    
 H   -5.470400      -3.093400     -0.5941000    
 H   -5.867400      -1.625900      0.2971000    
 H    4.536900      0.6648000      -1.685800    
 H    2.856600      0.5595000      -2.246600    
 H    1.347800      -2.080800       1.847300    
 H    4.855800      -1.776500      -1.646300    
 H    2.773300      -4.028300       1.349600    
 H    4.520300      -3.882000     -0.4032000    


%chk=000004891-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004891

0 1
O -3.045775 2.067350 0.635898
O 1.417370 3.938691 -0.278074
N 1.894030 1.685621 0.116464
N -0.920267 1.205688 0.316428
C 1.404353 0.391707 0.651969
C -2.925635 -0.243878 -0.170692
C 0.014427 0.100246 0.022002
C -3.335302 -1.096790 1.069124
C -4.162504 0.037040 -1.066997
C -2.311323 1.087701 0.287956
C -4.049970 -2.403051 0.649094
C -4.872085 -1.271273 -1.482383
C 2.354340 -0.770161 0.365182
C 3.288707 1.817001 -0.351693
C -0.363062 2.542120 0.647660
C -5.276080 -2.111844 -0.248369
C 3.629688 0.656765 -1.305481
C 1.048817 2.787837 0.106503
C 3.384157 -0.673140 -0.609142
C 2.165189 -1.986056 1.067421
C 4.192648 -1.806804 -0.869770
C 2.970905 -3.111100 0.796419
C 3.987615 -3.022529 -0.183397
H 1.265187 0.475696 1.752494
H -2.194823 -0.824552 -0.768435
H 0.154329 -0.040638 -1.069724
H -0.372005 -0.843293 0.443206
H -2.445456 -1.331329 1.688649
H -4.011828 -0.485177 1.698225
H -4.854543 0.690621 -0.504271
H -3.849662 0.605867 -1.963830
H -4.358348 -2.965200 1.552008
H -3.339304 -3.051327 0.094630
H -4.198334 -1.873496 -2.127681
H -5.765407 -1.032303 -2.091101
H 3.982104 1.810197 0.513104
H 3.361978 2.801146 -0.843053
H -0.351200 2.696471 1.747688
H -1.029255 3.316493 0.236937
H -5.748947 -3.061030 -0.566869
H -6.033951 -1.554761 0.339884
H 4.685309 0.731677 -1.625019
H 3.007070 0.746713 -2.217644
H 1.387878 -2.049690 1.839899
H 4.995532 -1.728514 -1.612860
H 2.815699 -4.043932 1.348861
H 4.623035 -3.888777 -0.397521


