%chk=000050999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050999

0 1
 O  -4.2199999E-02  0.5665000      0.3669000    
 O    4.384400      -1.169400      0.5787000    
 O    1.273100       4.028600      -1.321400    
 N   0.4230000      -2.029100      0.3922000    
 N   -1.074100      -4.016500      -1.080000    
 C   0.7232000      -2.321500      -1.014800    
 C  -0.1241000      -3.218200       1.056800    
 C  -0.5252000      -2.828500      -1.745000    
 C   -1.373300      -3.724200      0.3272000    
 C    1.614700      -1.547600       1.087900    
 C    2.152800     -0.2923000      0.4704000    
 C   -2.266800      -4.496200      -1.775500    
 C    1.291700      0.7481000      0.1197000    
 C    3.523200     -0.1653000      0.2439000    
 C    1.798700       1.909300     -0.4542000    
 C    4.031400      0.9997000     -0.3313000    
 C    3.171200       2.040900     -0.6821000    
 C   0.8683000       2.989300     -0.8156000    
 C  -0.9223000       1.581700      3.3799998E-02
 C  -0.5778000       2.754800     -0.5349000    
 C   -2.311300       1.237200      0.3688000    
 C   -1.506600       3.864800     -0.9349000    
 C    4.936300      -1.136200       1.893100    
 C   -3.113700      0.5845000     -0.5676000    
 C   -2.828100       1.562600       1.623100    
 C   -4.432000      0.2578000     -0.2500000    
 C   -4.146400       1.235700       1.940700    
 C   -4.948300      0.5833000       1.004100    
 H    1.521400      -3.072700      -1.093800    
 H    1.064000      -1.434900      -1.559700    
 H  -0.4048000      -2.969800       2.087500    
 H   0.6242000      -4.020900       1.105900    
 H   -1.274000      -2.026400      -1.796200    
 H  -0.2444000      -3.079000      -2.775300    
 H   -1.720800      -4.635100      0.8294000    
 H   -2.175800      -2.978400      0.4102000    
 H    2.367300      -2.344800       1.111900    
 H    1.369300      -1.316600       2.133100    
 H   -2.646600      -5.408600      -1.302500    
 H   -2.028400      -4.755800      -2.812800    
 H   -3.070600      -3.751000      -1.782400    
 H    5.098400       1.103300     -0.5103000    
 H    3.586300       2.939600      -1.129500    
 H   -1.426500       4.056600      -2.010200    
 H   -1.249200       4.784700     -0.3990000    
 H   -2.556600       3.647300     -0.7213000    
 H    4.146100      -1.136800       2.650500    
 H    5.571700     -0.2534000       2.016300    
 H    5.550700      -2.030400       2.029000    
 H   -2.724900      0.3230000      -1.548700    
 H   -2.215200       2.070600       2.363800    
 H   -5.056000     -0.2510000     -0.9788000    
 H   -4.548600       1.488900       2.917300    
 H   -5.974600      0.3286000       1.251700    


%chk=000050999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050999

0 1
O -0.248670 0.892232 0.704740
O 3.926839 -1.410316 0.836542
O 1.420588 4.345726 -0.888650
N 0.247344 -2.158548 0.335216
N -0.833445 -4.376626 -1.183759
C 0.993766 -2.739584 -0.808929
C -0.586111 -3.200652 0.986106
C 0.010571 -3.340010 -1.825711
C -1.566381 -3.810461 -0.029284
C 1.129785 -1.476488 1.327641
C 1.838105 -0.260788 0.755152
C -1.727156 -5.051741 -2.142699
C 1.123384 0.921234 0.444834
C 3.239142 -0.229386 0.525635
C 1.727487 2.091728 -0.079991
C 3.884737 0.933100 0.007260
C 3.128260 2.073709 -0.291601
C 0.904753 3.276367 -0.409985
C -1.074989 1.980712 0.356652
C -0.557191 3.144355 -0.192168
C -2.486555 1.614930 0.622111
C -1.403971 4.310750 -0.651903
C 5.379290 -1.440520 0.637311
C -2.870427 0.247598 0.498018
C -3.462604 2.571125 1.014748
C -4.204667 -0.140657 0.733371
C -4.794984 2.173666 1.255726
C -5.174144 0.819411 1.109369
H 1.702902 -3.536312 -0.471851
H 1.581919 -1.939786 -1.293446
H -1.155369 -2.734336 1.812762
H 0.041859 -4.021629 1.416367
H -0.611929 -2.512922 -2.254822
H 0.575624 -3.808369 -2.653601
H -2.145115 -4.619153 0.456036
H -2.289843 -3.015209 -0.353106
H 1.892156 -2.172776 1.744408
H 0.476003 -1.146462 2.156988
H -2.282279 -5.858502 -1.630588
H -1.128172 -5.508167 -2.951205
H -2.474367 -4.362328 -2.613161
H 4.964507 0.941091 -0.162917
H 3.590940 2.978914 -0.697634
H -0.853621 4.847044 -1.443119
H -1.568728 5.043651 0.161253
H -2.387987 3.990241 -1.032608
H 5.886361 -0.681063 1.262404
H 5.642594 -1.286422 -0.426466
H 5.686856 -2.447833 0.953394
H -2.111625 -0.491724 0.216400
H -3.178504 3.616213 1.162991
H -4.489712 -1.193250 0.623117
H -5.534501 2.920183 1.565498
H -6.210526 0.514842 1.293251


