%chk=000103629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103629

0 1
 O   -1.316900     -0.2773000     -0.7478000    
 O  -0.5751000     -0.1383000       1.456700    
 N   -4.755600     -0.7185000      0.5103000    
 C  -0.1398000     -7.9000004E-02  7.8100003E-02
 C   -2.345900     -0.7333000      0.1329000    
 C   0.4488000       1.317600     -0.1705000    
 C   0.8452000      -1.218100     -0.2006000    
 C   -1.998200     -5.8200002E-02   1.429300    
 C    1.697900       1.755400      0.3305000    
 C    1.993200      -1.394700      0.5979000    
 C    2.706100      0.9442000       1.122200    
 C    2.329800     -0.4183000       1.691400    
 C   -3.710200     -0.3644000     -0.4087000    
 C  -0.3269000       2.250600     -0.9033000    
 C   0.6354000      -2.120000      -1.263100    
 C    2.120700       3.078800      5.1800001E-02
 C    2.871200      -2.463400      0.3442000    
 C   0.1102000       3.551300      -1.157600    
 C    1.515900      -3.175900      -1.507500    
 C    1.339600       3.966800     -0.6807000    
 C    2.631000      -3.351600     -0.7000000    
 C   -6.076300     -0.3538000     -5.5000000E-03
 H   -2.242200      -1.822300      0.2247000    
 H   -2.278300       1.001100       1.443900    
 H   -2.420500     -0.5527000       2.308100    
 H    3.590000      0.8176000      0.4806000    
 H    3.024200       1.559400       1.975600    
 H    1.520600     -0.3445000       2.422900    
 H    3.186900     -0.7940000       2.266200    
 H   -3.849700     -0.8642000      -1.376100    
 H   -3.731400      0.7121000     -0.6241000    
 H   -1.306400       1.982900      -1.293100    
 H  -0.2221000      -2.021500      -1.923800    
 H    3.086900       3.425500      0.4161000    
 H    3.760000      -2.602000      0.9554000    
 H  -0.5151000       4.233300      -1.726000    
 H    1.326800      -3.859500      -2.330100    
 H   -4.733400      -1.720600      0.6967000    
 H    1.692300       4.975000     -0.8738000    
 H    3.318200      -4.170900     -0.8880000    
 H   -6.840200     -0.6283000      0.7282000    
 H   -6.298400     -0.8793000     -0.9398000    
 H   -6.149800      0.7256000     -0.1723000    


%chk=000103629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103629

0 1
O -1.286537 -0.468000 -0.750160
O -0.516373 -0.355842 1.484906
N -4.846175 -0.660622 0.418451
C -0.068585 -0.219771 0.053042
C -2.407975 -0.808201 0.164297
C 0.421647 1.221869 -0.202869
C 0.967073 -1.313967 -0.219763
C -1.978364 -0.147208 1.482413
C 1.635766 1.741253 0.346919
C 2.123049 -1.426868 0.603328
C 2.691293 0.985616 1.166359
C 2.376521 -0.426115 1.715595
C -3.709653 -0.280644 -0.446886
C -0.396115 2.072579 -0.994255
C 0.770063 -2.215107 -1.290414
C 1.952344 3.104292 0.092239
C 3.047165 -2.464946 0.336740
C -0.057346 3.417840 -1.238243
C 1.705836 -3.241945 -1.549345
C 1.129313 3.943574 -0.682630
C 2.847584 -3.371964 -0.729078
C -6.133406 -0.039966 0.049537
H -2.444658 -1.912468 0.281996
H -2.228077 0.932425 1.485354
H -2.375093 -0.634172 2.384020
H 3.600305 0.910575 0.532833
H 2.971451 1.631202 2.022419
H 1.501687 -0.375390 2.384983
H 3.243732 -0.755648 2.317948
H -3.798449 -0.650053 -1.497678
H -3.661905 0.824175 -0.495632
H -1.300844 1.646323 -1.433936
H -0.122487 -2.101021 -1.911656
H 2.880294 3.508407 0.517740
H 3.934489 -2.560745 0.974510
H -0.709700 4.044660 -1.856380
H 1.542045 -3.933330 -2.383588
H -4.925710 -1.682731 0.507995
H 1.412544 4.988281 -0.853580
H 3.576581 -4.168502 -0.917192
H -6.925443 -0.401044 0.728816
H -6.457199 -0.240486 -1.000717
H -6.062188 1.056288 0.172863


