%chk=000094255.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094255

0 1
 O   -3.163500       2.251500      0.7732000    
 O   -1.315300       3.383200     -4.1000001E-02
 N  -0.4139000      -2.382800       1.060900    
 N    1.045100       1.927400      0.5503000    
 C   1.6200000E-02  -1.576600     -9.6799999E-02
 C   0.7942000     -0.4307000      0.5894000    
 C   -1.241600      -1.150400     -0.8935000    
 C    1.026900     -0.9415000       2.041700    
 C   -2.080000      -2.414600      -1.243900    
 C   -2.076900     -0.1390000     -4.3200001E-02
 C   0.7043000      -2.426900       1.978300    
 C   7.4299999E-02  0.9413000      0.5863000    
 C  -0.9891000      -3.657200      0.6815000    
 C    2.144100     -3.3199999E-02  1.8700000E-02
 C  -0.8294000     -0.5005000      -2.237000    
 C   -2.292200      -3.369100     -6.5300003E-02
 C   -1.249400       1.051100      0.3766000    
 C    2.241900       1.374400      7.9599999E-02
 C   -2.048100     -6.8400003E-02  -3.014700    
 C    3.201100     -0.8057000     -0.4256000    
 C   -1.885600       2.372600      0.3349000    
 C    3.406900       2.026600     -0.2702000    
 C    4.373700     -0.1490000     -0.8063000    
 C    4.477400       1.251700     -0.7243000    
 C   -3.921200       3.465700      0.7905000    
 H   0.6845000      -2.171200     -0.7351000    
 H   0.3377000     -0.4501000       2.742600    
 H    2.043100     -0.7813000       2.420300    
 H   -1.577400      -2.979400      -2.040600    
 H   -3.072200      -2.143400      -1.620500    
 H   -2.451300     -0.6194000      0.8701000    
 H   -2.977800      0.1641000     -0.5851000    
 H    1.547100      -3.005200       1.582200    
 H   0.4296000      -2.816700       2.963100    
 H   -1.221500      -4.254700       1.570500    
 H  -0.3034000      -4.244000      5.8400001E-02
 H  -0.2539000      -1.215700      -2.838600    
 H  -0.1729000      0.3640000      -2.095700    
 H   -3.025300      -2.936300      0.6273000    
 H   -2.724000      -4.309200     -0.4280000    
 H   0.8144000       2.901000      0.4246000    
 H   -2.733700     -0.8829000      -3.256800    
 H   -2.603300      0.7418000      -2.536200    
 H   -1.717100      0.3351000      -3.979900    
 H    3.138800      -1.887300     -0.4610000    
 H    3.492400       3.106000     -0.2105000    
 H    5.224000     -0.7277000      -1.157800    
 H    5.405200       1.736300      -1.017300    
 H   -3.455900       4.193100       1.462600    
 H   -4.923500       3.235600       1.161500    
 H   -4.006000       3.873100     -0.2215000    


%chk=000094255-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094255

0 1
O -3.278698 2.336648 0.326279
O -1.222867 3.427952 0.538100
N -0.254718 -2.573313 0.955926
N 1.019207 1.897106 0.435422
C 0.004432 -1.624948 -0.147705
C 0.811327 -0.457085 0.538871
C -1.345534 -1.187105 -0.806747
C 0.998823 -0.963878 2.040037
C -2.169410 -2.475984 -1.140393
C -2.098558 -0.274523 0.222391
C 0.847505 -2.493877 1.918460
C 0.076622 0.879187 0.524064
C -0.875669 -3.840220 0.571947
C 2.184448 -0.051989 -0.004039
C -1.033398 -0.441805 -2.144889
C -2.273766 -3.516947 0.001243
C -1.303384 0.998224 0.484509
C 2.277141 1.371521 0.052325
C -2.254331 0.169646 -2.867880
C 3.299403 -0.807729 -0.391856
C -1.878526 2.332521 0.462651
C 3.465185 2.054440 -0.264122
C 4.504970 -0.134429 -0.732788
C 4.582632 1.276524 -0.661920
C -3.903906 3.674844 0.289054
H 0.650467 -2.085361 -0.940807
H 0.181593 -0.566980 2.666003
H 1.967443 -0.639390 2.453621
H -1.688500 -2.967568 -2.013198
H -3.186058 -2.184863 -1.467275
H -2.241422 -0.861322 1.150535
H -3.100916 -0.007278 -0.150702
H 1.801070 -2.962572 1.562169
H 0.572148 -2.971434 2.876538
H -0.959676 -4.487903 1.464393
H -0.273766 -4.399752 -0.192294
H -0.532706 -1.163534 -2.823501
H -0.296885 0.364037 -1.964008
H -2.903114 -3.127362 0.822805
H -2.755082 -4.438059 -0.382024
H 0.698582 2.874425 0.417454
H -3.008844 -0.595751 -3.125661
H -2.748357 0.938446 -2.246984
H -1.938882 0.653603 -3.810599
H 3.247399 -1.901255 -0.442400
H 3.527911 3.146518 -0.216653
H 5.379542 -0.711038 -1.052532
H 5.519661 1.780790 -0.923930
H -3.698102 4.223258 1.224176
H -4.979923 3.478579 0.174803
H -3.515013 4.262483 -0.560168


