%chk=000055909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055909

0 1
 O    3.913300      -1.701400     -0.4313000    
 O   -4.638100      -1.901100      0.3299000    
 O   -4.094000      5.6899998E-02   1.171600    
 N    1.635900      -1.977000     -0.8047000    
 N    1.989800      0.5354000      0.8525000    
 N   -3.790600      -1.015800      0.5964000    
 C   0.2702000      -1.684100     -0.4654000    
 C  -0.1310000     -0.4734000      0.1340000    
 C    2.436300     -0.7957000       1.225600    
 C   0.8110000      0.6630000      0.3459000    
 C    2.745100      -1.513400     -8.0799997E-02
 C   -1.473400     -0.2674000      0.5003000    
 C  -0.7318000      -2.632500     -0.7509000    
 C   0.3903000       2.035400     -5.9200000E-02
 C    3.679800     -0.6375000       2.095500    
 C    1.882400      -2.872600      -1.935600    
 C   -2.435700      -1.236300      0.2340000    
 C   -2.067100      -2.413100     -0.4029000    
 C  -0.4890000       2.198800      -1.122700    
 C   0.8824000       3.136400      0.6312000    
 C  -0.8821000       3.482400      -1.501600    
 C   0.4894000       4.419900      0.2524000    
 C  -0.3929000       4.592900     -0.8141000    
 H    1.694200      -1.351600       1.810900    
 H   -1.749900      0.6594000      0.9989000    
 H  -0.4920000      -3.584300      -1.218900    
 H    4.462300     -6.4900003E-02   1.584400    
 H    3.436500     -0.1061000       3.022000    
 H    4.097400      -1.614700       2.360200    
 H    2.903100      -2.756900      -2.311900    
 H    1.195100      -2.646200      -2.756900    
 H    1.761400      -3.908300      -1.603400    
 H   -2.787300      -3.193200     -0.6371000    
 H  -0.8635000       1.359900      -1.701900    
 H    1.563600       3.026100       1.470500    
 H   -1.563200       3.617900      -2.336800    
 H   0.8688000       5.284800      0.7887000    
 H  -0.6978000       5.592500      -1.109900    


%chk=000055909-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055909

0 1
O 3.920967 -1.934630 -0.373403
O -4.679882 -2.077684 0.338621
O -4.183799 0.009423 1.121781
N 1.631807 -1.962741 -0.814017
N 2.003589 0.558929 0.820516
N -3.849942 -1.116199 0.582004
C 0.283063 -1.712997 -0.439854
C -0.146371 -0.446793 0.092555
C 2.440607 -0.795419 1.252265
C 0.800521 0.697319 0.298022
C 2.759729 -1.601416 -0.024513
C -1.513546 -0.276100 0.420112
C -0.684977 -2.736539 -0.670904
C 0.368467 2.078827 -0.081886
C 3.667860 -0.680391 2.160968
C 1.906031 -2.824360 -1.991987
C -2.432412 -1.319798 0.215835
C -2.033702 -2.554984 -0.344381
C -0.597895 2.310204 -1.098775
C 0.972164 3.195590 0.558928
C -0.957477 3.627162 -1.459356
C 0.608627 4.508399 0.200960
C -0.359682 4.730143 -0.808719
H 1.617360 -1.327840 1.782516
H -1.869307 0.672111 0.831971
H -0.361170 -3.695182 -1.084813
H 4.501678 -0.213777 1.613194
H 3.420727 -0.052864 3.034262
H 3.994816 -1.674420 2.511449
H 2.914913 -2.578137 -2.356162
H 1.160386 -2.624137 -2.777011
H 1.896816 -3.899007 -1.730919
H -2.775233 -3.342945 -0.498483
H -1.054771 1.465257 -1.625012
H 1.726851 3.005878 1.328106
H -1.699619 3.791398 -2.248081
H 1.075354 5.360162 0.707732
H -0.643650 5.751756 -1.084621


