%chk=000104186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104186

0 1
 O  -0.5858000       2.302000     -0.5095000    
 O   -2.830600      -2.461900      0.3889000    
 N    1.805600       1.328700     -0.5434000    
 N  -0.5597000      -3.689700      0.4029000    
 N    4.538500     -0.8522000     -0.4193000    
 N    2.860000      -4.413400      0.2530000    
 C  -0.2227000     -1.9800000E-02 -0.1814000    
 C  -0.8095000      -1.265100      5.2999999E-02
 C    1.168100      8.4799998E-02 -0.3035000    
 C    3.186900       1.550600     -0.2677000    
 C   -1.059000       1.191700     -0.3023000    
 C   -2.525000       1.067100     -0.1713000    
 C   -3.111900     -0.1783000      6.3000001E-02
 C  -5.5000000E-03  -2.405800      0.1656000    
 C   -2.275500      -1.389800      0.1839000    
 C    3.494000       3.044600     -0.2088000    
 C    1.965500      -1.054500     -0.1906000    
 C    1.380000      -2.297200      4.3499999E-02
 C    2.730200       3.760400      0.9081000    
 C   -3.329000       2.207800     -0.2840000    
 C   -4.502700     -0.2830000      0.1848000    
 C    3.106500       5.232100      0.9833000    
 C   -4.714500       2.099000     -0.1622000    
 C   -5.300200      0.8562000      7.1699999E-02
 C    3.394200     -0.9422000     -0.3176000    
 C    2.201900      -3.472400      0.1598000    
 H    3.494300       1.166400      0.7119000    
 H    3.799200       1.223700      -1.112300    
 H    1.229700       2.103700     -0.8473000    
 H    3.245200       3.512600      -1.170200    
 H    4.572300       3.179700     -5.8100000E-02
 H    2.950300       3.286200       1.871600    
 H    1.649200       3.684700      0.7497000    
 H   -2.899600       3.189300     -0.4661000    
 H   -4.986400      -1.238800      0.3672000    
 H    2.871000       5.745200      4.5499999E-02
 H    2.552300       5.724300       1.788600    
 H    4.175900       5.354200       1.183300    
 H   -5.337800       2.984200     -0.2498000    
 H   -6.379200      0.7743000      0.1662000    
 H   2.9100001E-02  -4.506900      0.4837000    
 H   -1.558300      -3.807200      0.4980000    


%chk=000104186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104186

0 1
O -0.490487 2.344763 -0.153042
O -2.922926 -2.607456 0.109441
N 1.825900 1.283868 -0.150743
N -0.648506 -3.796829 0.141063
N 4.649247 -1.338562 -0.004326
N 2.705382 -4.704470 0.168563
C -0.201901 -0.065602 -0.046294
C -0.849840 -1.350178 0.024489
C 1.254600 0.045208 -0.072296
C 3.251072 1.661391 -0.205611
C -1.021934 1.159208 -0.093060
C -2.497836 1.047559 -0.069409
C -3.132204 -0.223602 -0.001481
C -0.068386 -2.559349 0.075415
C -2.324208 -1.461123 0.047725
C 3.385069 3.193986 -0.325002
C 2.022359 -1.185569 -0.011118
C 1.369442 -2.441956 0.058752
C 2.881654 3.977787 0.910893
C -3.288463 2.225381 -0.115423
C -4.548310 -0.307174 0.019879
C 3.106285 5.498241 0.766101
C -4.692261 2.135255 -0.094086
C -5.324901 0.864857 -0.026295
C 3.458270 -1.217758 -0.012126
C 2.132592 -3.654620 0.117458
H 3.778283 1.315059 0.704544
H 3.741441 1.177789 -1.071930
H 1.105475 2.047572 -0.178477
H 2.851038 3.542129 -1.232546
H 4.457163 3.421769 -0.484407
H 3.408432 3.606788 1.813338
H 1.803699 3.783439 1.074655
H -2.775587 3.190018 -0.167431
H -5.006323 -1.299174 0.072961
H 2.565569 5.896592 -0.112903
H 2.747022 6.043215 1.657595
H 4.179767 5.732219 0.635971
H -5.299497 3.045954 -0.129928
H -6.417912 0.799190 -0.009989
H -0.075877 -4.640301 0.178664
H -1.685403 -3.810213 0.152216


