%chk=000059355.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059355

0 1
 O   0.3683000      -1.398600     -0.3096000    
 O   -1.428600      -2.333500      0.7842000    
 N    4.533600     -0.4837000     -0.2123000    
 C    3.144200     -0.7447000      0.1889000    
 C    3.200400     -0.5944000       1.710600    
 C    4.387000      0.3242000       1.980700    
 C    4.957100      0.6519000      0.6107000    
 C    2.643600      -2.122800     -0.2248000    
 C    4.680000     -0.1970000      -1.634200    
 C    1.227400      -2.374600      0.2635000    
 C    6.119600      0.1435000      -1.980300    
 C   -1.743300     -0.3459000     -0.6036000    
 C  -0.9578000      -1.487400      3.4600001E-02
 C   -1.144900       1.024300     -0.3115000    
 C   -3.237700     -0.3889000     -0.3134000    
 C   -1.302400       2.031100      -1.240800    
 C   -4.063900      -1.079900      -1.175200    
 C  -0.4650000       1.214800      0.8734000    
 C   -3.718600      0.2641000      0.8025000    
 C  -0.7547000       3.285700     -0.9734000    
 C   -5.432700      -1.119600     -0.9093000    
 C   8.2500003E-02   2.469500       1.140900    
 C   -5.087400      0.2244000       1.068500    
 C  -6.2500000E-02   3.505000      0.2175000    
 C   -5.944300     -0.4675000      0.2124000    
 H    2.488500      3.8699999E-02 -0.2165000    
 H    3.365600      -1.552500       2.218200    
 H    2.273800     -0.1634000       2.104300    
 H    5.128200     -0.1997000       2.595700    
 H    4.085000       1.229300       2.517400    
 H    4.531200       1.598000      0.2517000    
 H    6.045300      0.7541000      0.6691000    
 H    3.305900      -2.907900      0.1600000    
 H    2.650500      -2.200300      -1.318600    
 H    4.398200      -1.079300      -2.219300    
 H    4.026800      0.6252000      -1.952800    
 H   0.9080000      -3.370900     -6.4499997E-02
 H    1.166500      -2.334700       1.356500    
 H    6.812500     -0.6218000      -1.614100    
 H    6.425900       1.114700      -1.579100    
 H    6.234200      0.1971000      -3.068500    
 H   -1.619200     -0.5149000      -1.685400    
 H   -1.840600       1.869100      -2.169800    
 H   -3.674700      -1.593000      -2.049200    
 H  -0.3548000      0.4360000       1.621100    
 H   -3.082600      0.7916000       1.504000    
 H  -0.8679000       4.092100      -1.692100    
 H   -6.099800      -1.659100      -1.575200    
 H   0.6184000       2.641300       2.069800    
 H   -5.485600      0.7273000       1.944900    
 H   0.3632000       4.482100      0.4262000    
 H   -7.009800     -0.4997000      0.4203000    


%chk=000059355-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059355

0 1
O 0.526311 -0.742748 0.424844
O -1.042892 -0.681470 2.140886
N 4.649752 -1.033014 -0.722679
C 3.565618 -0.708755 0.265392
C 4.318230 -0.259614 1.559388
C 5.811878 -0.587147 1.287461
C 5.917529 -0.429597 -0.241340
C 2.648582 -1.939793 0.466900
C 4.297644 -0.744516 -2.128239
C 1.378124 -1.649879 1.264267
C 5.296158 -1.353491 -3.130198
C -1.461437 0.541350 0.008070
C -0.678587 -0.335594 0.992625
C -1.755077 1.945888 0.562262
C -2.736006 -0.207449 -0.431837
C -1.804523 3.026572 -0.355744
C -2.803638 -0.762701 -1.733458
C -2.015914 2.200961 1.932592
C -3.838824 -0.366944 0.443915
C -2.112339 4.333666 0.080011
C -3.956363 -1.461502 -2.159338
C -2.319541 3.510854 2.369285
C -4.989119 -1.067345 0.020368
C -2.371970 4.581103 1.448087
C -5.053765 -1.615762 -1.282315
H 2.934622 0.131150 -0.108774
H 3.937257 -0.770244 2.462288
H 4.190773 0.826563 1.718425
H 6.039218 -1.631418 1.567811
H 6.503046 0.077747 1.833550
H 6.001800 0.654678 -0.515726
H 6.791955 -0.954426 -0.665121
H 3.223457 -2.727565 0.992102
H 2.368644 -2.357218 -0.518831
H 3.292834 -1.167227 -2.320035
H 4.218791 0.361086 -2.307215
H 0.794276 -2.564219 1.473322
H 1.579115 -1.140222 2.224433
H 5.384236 -2.442112 -2.966190
H 6.301597 -0.907185 -3.026344
H 4.957250 -1.178406 -4.167842
H -0.818380 0.652176 -0.881729
H -1.608241 2.840401 -1.419043
H -1.951182 -0.649800 -2.414902
H -1.968071 1.379147 2.654574
H -3.796744 0.054021 1.453501
H -2.147177 5.155673 -0.643946
H -3.996689 -1.882903 -3.170154
H -2.515361 3.693762 3.432055
H -5.836095 -1.185122 0.705714
H -2.609269 5.594696 1.790286
H -5.948893 -2.156712 -1.609314


