%chk=000002970.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002970

0 1
 O    2.296700      0.3617000     -0.9666000    
 O    2.641800      -1.980500       1.000000    
 O    1.603600       1.335500       1.979400    
 O   0.7619000      -1.297600      -2.653200    
 N  -4.1499998E-02  0.1703000     -0.4605000    
 N   -1.543100       1.762000     -0.8446000    
 N   -1.447700      -1.495400      0.6078000    
 N   -3.756200     -0.7211000      0.7732000    
 N   -4.455400       1.418000     -4.0899999E-02
 C    1.272800     -0.5236000     -0.4408000    
 C    1.749000     -0.8670000      0.9927000    
 C    2.496200      0.3783000       1.430100    
 C    1.218700      -1.733400      -1.385100    
 C    2.994600      0.8774000      0.1162000    
 C   -1.220200     -0.3108000      2.0600000E-02
 C  -0.2793000       1.414300     -0.9693000    
 C   -2.142800      0.6929000     -0.2275000    
 C    4.054100       1.674400     -5.4800000E-02
 C   -3.453900      0.4552000      0.1728000    
 C   -2.749300      -1.610200      0.9507000    
 H   0.9272000      -1.115400       1.669400    
 H    3.304700      0.1730000       2.139100    
 H   0.5584000      -2.527100      -1.021600    
 H    2.215500      -2.157900      -1.541900    
 H   0.4848000       2.030400      -1.423300    
 H    3.407200      -1.764500      0.4408000    
 H    1.209500      0.9425000       2.776800    
 H    4.376100       1.968400      -1.047800    
 H    4.616700       2.048000      0.7938000    
 H  -0.2053000      -1.210200      -2.611100    
 H   -3.027300      -2.540600       1.434100    
 H   -4.232400       2.296100     -0.4896000    
 H   -5.400900       1.221500      0.2580000    


%chk=000002970-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002970

0 1
O 2.380824 0.456008 -0.824823
O 2.841014 -2.241346 0.472355
O 1.190557 0.544030 2.349983
O 0.912000 -1.180647 -3.107662
N 0.025464 0.026877 -0.665651
N -1.694614 1.262063 -1.578210
N -1.121610 -0.673734 1.458295
N -3.450711 0.096100 1.554226
N -4.416154 1.426879 -0.141491
C 1.365335 -0.614589 -0.667259
C 1.764701 -1.273788 0.695134
C 2.248551 -0.069196 1.550952
C 1.513487 -1.617314 -1.852216
C 2.790736 0.892304 0.487300
C -1.054636 -0.070453 0.229354
C -0.421568 0.863100 -1.720933
C -2.105619 0.671697 -0.369389
C 3.574645 1.978277 0.641132
C -3.340303 0.738997 0.339929
C -2.356176 -0.548544 2.042212
H 0.950212 -1.844100 1.161081
H 3.052124 -0.399127 2.236302
H 1.115596 -2.597643 -1.527031
H 2.584525 -1.727598 -2.070476
H 0.247444 1.150115 -2.525839
H 3.664274 -1.758525 0.197717
H 0.345491 -0.008982 2.267111
H 3.868717 2.601313 -0.207782
H 3.904352 2.267728 1.641717
H -0.061482 -1.361845 -3.101986
H -2.468858 -1.010079 3.027370
H -4.343442 1.926728 -1.025816
H -5.270673 1.459894 0.411295


