%chk=000048732.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048732

0 1
 O    2.939200      0.5611000       1.762100    
 O  -9.8399997E-02   1.025800      -1.788500    
 O    2.217000      -2.888300      -1.176700    
 N    2.503200      -1.194600      0.3513000    
 N   0.9862000     -0.9621000      -1.422700    
 C   0.9586000      0.7116000      0.3711000    
 C  -0.1873000      0.2544000       1.291400    
 C    1.096600       2.238700      0.4530000    
 C    2.235200      5.5799998E-02  0.8880000    
 C   0.5774000      0.3096000      -1.050200    
 C   -1.514800      0.7573000      0.8011000    
 C    2.241600       2.728800     -0.4067000    
 C   -2.564500      2.3200000E-02  0.3808000    
 C   -3.815200      0.7145000     -0.1223000    
 C   -2.588600      -1.488600      0.3758000    
 C    1.910600      -1.767000     -0.7678000    
 C   -3.772700      0.9787000      -1.621200    
 C   -3.124100      -2.058800       1.681500    
 H  -3.0600000E-02  0.6377000       2.308800    
 H  -0.1840000     -0.8359000       1.396000    
 H    1.269100       2.560300       1.488100    
 H   0.1935000       2.756700      0.1124000    
 H   -1.638200       1.838600      0.8011000    
 H    3.211000       2.337800     -8.5400000E-02
 H    2.108300       2.480000      -1.463600    
 H    2.304600       3.821000     -0.3420000    
 H    3.267600      -1.715200      0.7724000    
 H   0.6318000      -1.311600      -2.308600    
 H   -4.697700      0.1118000      0.1231000    
 H   -3.954300       1.669400      0.4005000    
 H   -1.593100      -1.899700      0.1779000    
 H   -3.210800      -1.841100     -0.4561000    
 H   -2.941000       1.640600      -1.883700    
 H   -3.659800      4.7499999E-02  -2.186200    
 H   -4.700800       1.460300      -1.945400    
 H   -3.140200      -3.152500       1.636200    
 H   -2.496700      -1.765900       2.529800    
 H   -4.145000      -1.714700       1.877400    


%chk=000048732-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048732

0 1
O 2.841611 0.523343 1.971409
O -0.051384 0.862409 -1.876023
O 2.564951 -2.907239 -1.155283
N 2.643889 -1.177775 0.418192
N 1.172815 -1.045698 -1.424113
C 1.013220 0.727629 0.339571
C -0.200591 0.282702 1.301061
C 1.170840 2.273682 0.350255
C 2.246133 0.059412 0.964900
C 0.680016 0.232327 -1.071700
C -1.549824 0.818023 0.891723
C 2.366718 2.789688 -0.477438
C -2.612669 0.091881 0.434453
C -3.900702 0.801141 0.029470
C -2.616261 -1.426265 0.290110
C 2.150259 -1.793886 -0.746696
C -4.041441 0.922042 -1.513240
C -3.265455 -2.130214 1.514186
H 0.082380 0.668469 2.300049
H -0.213375 -0.820423 1.369066
H 1.281999 2.589894 1.403327
H 0.237292 2.707662 -0.046123
H -1.675443 1.906414 0.979063
H 3.326016 2.398567 -0.093243
H 2.269178 2.514085 -1.543176
H 2.415353 3.891948 -0.425236
H 3.401488 -1.676423 0.896382
H 0.862444 -1.431150 -2.322157
H -4.778166 0.252726 0.428704
H -3.927331 1.814468 0.472667
H -1.594192 -1.823960 0.148162
H -3.183192 -1.702620 -0.620357
H -3.186578 1.477951 -1.936604
H -4.068682 -0.071276 -1.997950
H -4.974574 1.451507 -1.779566
H -3.301397 -3.224944 1.365309
H -2.692001 -1.924965 2.436207
H -4.299645 -1.775929 1.677338


