%chk=000032512.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032512

1 1
 O   0.5560000      0.3136000     -0.2422000    
 O    1.555700       1.323000       1.567000    
 N   -3.085600     -0.1737000      0.2473000    
 C   -1.775100     -0.2553000     -0.4458000    
 C   -4.202600     -0.7563000     -0.6291000    
 C   -3.441600       1.284300      0.5682000    
 C   -3.054200     -0.9589000       1.565500    
 C  -0.7039000      0.3563000      0.4355000    
 C    2.899400      0.7381000     -0.3901000    
 C   -3.915100      -2.217600     -0.8964000    
 C   -3.479400       2.082400     -0.7166000    
 C    3.227300     -0.7385000     -0.7301000    
 C    1.615700      0.8362000      0.4442000    
 C    2.683900       1.523600      -1.696900    
 C    4.061700       1.394700      0.3759000    
 C    3.397800      -1.657500      0.4857000    
 C    3.659900      -3.094300      5.7999998E-02
 H   -1.507600      -1.306000     -0.6020000    
 H   -1.822800      0.1987000      -1.440600    
 H   -4.222300     -0.2311000      -1.586700    
 H   -5.157200     -0.6221000     -0.1088000    
 H   -2.747500       1.693500       1.306600    
 H   -4.434400       1.276000       1.035200    
 H   -2.524100      -1.904100       1.419500    
 H   -2.540500     -0.3620000       2.325200    
 H   -4.083900      -1.130800       1.894700    
 H  -0.8912000       1.410400      0.6499000    
 H  -0.5881000     -0.1926000       1.375400    
 H    2.430500      -1.150900      -1.363600    
 H    4.144200     -0.7748000      -1.333500    
 H   -3.862500      -2.831500      5.5999998E-03
 H   -3.017900      -2.381900      -1.498200    
 H   -4.743500      -2.628100      -1.487200    
 H   -4.254500       1.768300      -1.418200    
 H   -2.519100       2.138700      -1.234000    
 H   -3.731000       3.119400     -0.4602000    
 H    3.601700       1.555600      -2.294800    
 H    2.378400       2.556300      -1.491600    
 H    1.901800       1.072300      -2.318100    
 H    5.003400       1.301300     -0.1763000    
 H    3.874000       2.463000      0.5366000    
 H    4.204300      0.9472000       1.365200    
 H    2.499100      -1.636100       1.111500    
 H    4.236000      -1.320200       1.104100    
 H    4.571100      -3.164300     -0.5446000    
 H    2.825500      -3.486500     -0.5324000    
 H    3.783800      -3.734600      0.9371000    


%chk=000032512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032512

1 1
O 0.584764 0.420229 -0.241007
O 1.636669 1.541362 1.495674
N -3.106698 -0.206062 0.293296
C -1.690119 -0.154689 -0.313053
C -4.067043 -0.897315 -0.718958
C -3.651986 1.220971 0.604295
C -3.097033 -0.986387 1.607609
C -0.658168 0.606110 0.530852
C 3.007336 0.765577 -0.453890
C -3.771876 -2.373305 -1.008367
C -3.715790 2.181741 -0.587202
C 3.196410 -0.761802 -0.750257
C 1.750139 0.972954 0.392535
C 2.820905 1.522688 -1.805157
C 4.217848 1.352965 0.313228
C 3.311263 -1.679816 0.487421
C 3.469756 -3.163672 0.090392
H -1.353018 -1.195536 -0.439295
H -1.773660 0.303757 -1.311349
H -4.006959 -0.304553 -1.645565
H -5.079666 -0.777145 -0.294791
H -3.005629 1.627965 1.399457
H -4.656053 1.061354 1.035551
H -2.578254 -1.944490 1.465593
H -2.578386 -0.397727 2.378017
H -4.136537 -1.166262 1.922207
H -0.874041 1.686048 0.623377
H -0.528340 0.191124 1.547282
H 2.355491 -1.106712 -1.383159
H 4.116051 -0.858231 -1.361188
H -3.878173 -3.020180 -0.122488
H -2.780618 -2.538663 -1.461670
H -4.517739 -2.718926 -1.745930
H -4.409930 1.851780 -1.377083
H -2.728089 2.381579 -1.035086
H -4.096493 3.148315 -0.212505
H 3.736001 1.401856 -2.411584
H 2.664605 2.604512 -1.643391
H 1.968423 1.120864 -2.379047
H 5.139910 1.172413 -0.267189
H 4.106313 2.441223 0.457870
H 4.336692 0.898709 1.310454
H 2.411528 -1.563675 1.127630
H 4.175365 -1.376268 1.107830
H 4.377181 -3.313544 -0.523390
H 2.604820 -3.516614 -0.502967
H 3.558428 -3.811324 0.980897


