%chk=000058165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058165

0 1
 O   -1.578900       2.323600       1.386400    
 N    2.417300      -2.213000     -0.2144000    
 N   -1.148200      5.8100000E-02  0.8918000    
 N    4.130600       3.123300      -1.185300    
 C   0.6565000      -1.545400       1.395800    
 C    1.560100      -2.666400      0.8742000    
 C  -0.2973000     -0.9668000      0.3524000    
 C    3.543200      -1.434800      0.3054000    
 C    2.905000      -3.351600     -0.9950000    
 C   -2.430800     -0.3827000       1.450400    
 C  -0.8562000       1.439700      0.9277000    
 C   -3.508500     -0.4392000      0.4065000    
 C    4.408400     -0.9002000     -0.8232000    
 C    3.765200      -4.271600     -0.1454000    
 C   0.4377000       1.876000      0.3792000    
 C   -4.300300      0.6823000      0.1601000    
 C   -3.718300      -1.613500     -0.3164000    
 C   0.5443000       2.218000     -0.9690000    
 C    1.557700       1.947800       1.207500    
 C   -5.301800      0.6298000     -0.8094000    
 C   -4.719700      -1.666200      -1.285900    
 C   -5.511500     -0.5445000      -1.532300    
 C    1.770700       2.631900      -1.488700    
 C    2.784200       2.361700      0.6878000    
 C    2.890600       2.703700     -0.6603000    
 H   5.9300002E-02  -1.961100       2.218600    
 H    1.252700     -0.7542000       1.858300    
 H    2.133500      -3.068800       1.718900    
 H   0.8976000      -3.472000      0.5302000    
 H   0.2795000     -0.5527000     -0.4795000    
 H  -0.9068000      -1.767000     -7.8000002E-02
 H    3.158300     -0.5592000      0.8355000    
 H    4.156300      -1.970600       1.038600    
 H    2.048200      -3.918100      -1.382700    
 H    3.446600      -3.034000      -1.892200    
 H   -2.733800      0.3043000       2.250500    
 H   -2.299700      -1.360000       1.931000    
 H    5.033600      -1.674700      -1.277300    
 H    3.806000     -0.4269000      -1.606200    
 H    5.090200     -0.1366000     -0.4317000    
 H    4.711300      -3.819200      0.1639000    
 H    3.251100      -4.664100      0.7362000    
 H    4.036900      -5.146600     -0.7487000    
 H   -4.153100       1.602900      0.7178000    
 H   -3.119000      -2.500000     -0.1289000    
 H  -0.3223000       2.164800      -1.622900    
 H    1.485300       1.689500       2.260700    
 H   -5.919200       1.502600      -1.000500    
 H   -4.884900      -2.581300      -1.846900    
 H    1.841000       2.895400      -2.540900    
 H    3.649600       2.413400       1.343600    
 H   -6.291900     -0.5858000      -2.286500    
 H    4.944600       3.167600     -0.5868000    
 H    4.210000       3.365500      -2.163900    


%chk=000058165-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058165

0 1
O -1.115087 2.139571 2.216795
N 2.300960 -2.346091 -0.277016
N -1.074984 0.183740 0.940714
N 4.137194 3.666728 -1.165472
C 0.454280 -1.776501 1.367630
C 1.323072 -2.873556 0.708569
C -0.282102 -0.906714 0.320261
C 3.388688 -1.550918 0.351561
C 2.757481 -3.375120 -1.247821
C -2.388676 -0.207425 1.506383
C -0.544723 1.422910 1.324180
C -3.434582 -0.474161 0.428861
C 4.289185 -0.830501 -0.668650
C 3.646358 -4.518178 -0.681920
C 0.696003 1.923622 0.640658
C -3.673281 0.485092 -0.589129
C -4.205763 -1.662093 0.441267
C 0.882848 1.879967 -0.766683
C 1.666729 2.603157 1.422684
C -4.664297 0.261866 -1.568917
C -5.201369 -1.888721 -0.538054
C -5.433121 -0.926903 -1.547051
C 2.009797 2.465455 -1.370299
C 2.810304 3.170552 0.836780
C 3.005221 3.106247 -0.575256
H -0.268876 -2.276452 2.042254
H 1.072070 -1.117065 2.006407
H 1.815472 -3.464676 1.522703
H 0.657082 -3.574655 0.166486
H 0.469304 -0.503149 -0.370831
H -0.971553 -1.532643 -0.278143
H 2.913283 -0.781780 0.986925
H 4.020756 -2.177627 1.032785
H 1.851463 -3.814657 -1.708661
H 3.301562 -2.864429 -2.063526
H -2.697569 0.629383 2.160127
H -2.275545 -1.103639 2.147422
H 4.904155 -1.533740 -1.258717
H 3.671970 -0.231263 -1.361080
H 4.976814 -0.144659 -0.141099
H 4.580618 -4.124394 -0.241783
H 3.118006 -5.096720 0.097583
H 3.924407 -5.218141 -1.491871
H -3.079196 1.406426 -0.604827
H -4.028396 -2.412519 1.222665
H 0.119642 1.417816 -1.403453
H 1.498456 2.691740 2.501282
H -4.842495 1.013551 -2.346586
H -5.790747 -2.812605 -0.514987
H 2.121483 2.436596 -2.461207
H 3.552560 3.679738 1.463912
H -6.203282 -1.099846 -2.307305
H 4.831149 4.151522 -0.604123
H 4.268174 3.638964 -2.172326


