%chk=000099428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099428

0 1
 O   -1.534600       1.555900     -0.2025000    
 O    2.496100     -0.6927000     -0.9418000    
 O    3.194800     -9.5100001E-02   1.193800    
 N   -2.049700     -0.5741000      0.6055000    
 N    4.417300      0.5324000     -0.6754000    
 C   -3.760000       1.191100      0.6856000    
 C   -4.824700      0.3873000     -0.1085000    
 C   -3.972200       1.002700       2.201800    
 C   -3.930900       2.692700      0.3777000    
 C   -4.697100      0.4823000      -1.633900    
 C   -2.319100      0.7584000      0.3086000    
 C   -5.722500     -0.4027000      -2.328300    
 C  -0.8425000      -1.282700      0.3912000    
 C   0.2364000     -0.6257000     -0.1756000    
 C  -0.7679000      -2.616700      0.7541000    
 C    1.425700      -1.323600     -0.3858000    
 C    5.474400       1.245400      3.1999999E-03
 C   0.4215000      -3.314600      0.5440000    
 C    1.518200      -2.668100     -2.6100000E-02
 C    6.783200       1.121400     -0.7670000    
 C    5.086400       2.705000      0.2008000    
 C    3.367300     -7.8599997E-02 -2.1500001E-02
 H   -5.826800      0.7289000      0.1841000    
 H   -4.774600     -0.6708000      0.1788000    
 H   -4.929500       1.429200       2.521900    
 H   -3.175600       1.491200       2.774800    
 H   -3.977400     -5.4699998E-02   2.486900    
 H   -3.262100       3.298800       1.000800    
 H   -4.956400       3.025200      0.5739000    
 H   -3.692400       2.933000     -0.6638000    
 H   -3.695900      0.1764000      -1.955700    
 H   -4.848700       1.513700      -1.968000    
 H   -6.741600     -0.1090000      -2.057300    
 H   -5.622000     -0.3180000      -3.414900    
 H   -5.582700      -1.453700      -2.055600    
 H   -2.795000      -1.126200       1.021800    
 H   0.2405000      0.4103000     -0.4796000    
 H   -1.616100      -3.129600       1.198900    
 H    5.610000      0.7898000      0.9917000    
 H   0.4936000      -4.361500      0.8241000    
 H    2.441500      -3.217900     -0.1874000    
 H    4.417900      0.5136000      -1.691000    
 H    6.698800       1.557700      -1.768600    
 H    7.597300       1.630200     -0.2406000    
 H    7.063200      6.9300003E-02 -0.8886000    
 H    4.162600       2.789800      0.7834000    
 H    4.915800       3.203800     -0.7599000    
 H    5.872100       3.250400      0.7337000    


%chk=000099428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099428

0 1
O -1.905397 1.934430 -0.000702
O 2.479302 0.171646 0.006804
O 4.342022 -1.317917 0.241916
N -2.303185 -0.272322 0.666399
N 4.556211 0.915960 -0.439155
C -4.244710 1.273477 0.511427
C -5.080867 0.206224 -0.271420
C -4.607559 1.193295 2.026015
C -4.562022 2.697251 -0.005898
C -4.764638 0.075908 -1.778890
C -2.713784 1.025966 0.354665
C -5.619091 -1.013850 -2.462013
C -0.992153 -0.827839 0.666265
C 0.160837 -0.076952 0.335587
C -0.863228 -2.200335 1.019498
C 1.422441 -0.710517 0.364626
C 6.032801 0.917958 -0.547832
C 0.409285 -2.799858 1.038335
C 1.577384 -2.072356 0.712892
C 6.459458 1.959603 -1.600683
C 6.692603 1.170624 0.828703
C 3.857948 -0.192501 -0.034327
H -6.151398 0.469624 -0.144951
H -4.969809 -0.793192 0.205694
H -5.675493 1.443434 2.167170
H -4.007374 1.910860 2.613717
H -4.439782 0.183733 2.446331
H -4.019729 3.455475 0.583371
H -5.647857 2.890609 0.075822
H -4.253251 2.827327 -1.056077
H -3.690014 -0.156775 -1.915538
H -4.939614 1.046565 -2.280461
H -6.699101 -0.792904 -2.365572
H -5.385194 -1.089157 -3.539446
H -5.438094 -2.007140 -2.008709
H -3.046673 -0.925896 0.922760
H 0.076791 0.974909 0.061119
H -1.753016 -2.788501 1.277264
H 6.320441 -0.093550 -0.890009
H 0.502678 -3.856484 1.311580
H 2.563187 -2.536500 0.729241
H 4.030384 1.775711 -0.605460
H 6.170857 2.982212 -1.288631
H 7.556302 1.947137 -1.723338
H 5.997996 1.748680 -2.581594
H 6.360805 0.411848 1.558065
H 6.426634 2.172375 1.214043
H 7.793266 1.111607 0.745097


