%chk=000226624.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226624

0 1
 O    7.631800      0.8825000     -0.2361000    
 O   -7.636500      0.8723000      0.1549000    
 O    1.165000      0.8529000     -0.7690000    
 O   -1.190900      0.8288000      0.9084000    
 N    2.398900     -0.9077000      0.1749000    
 N   -2.389800     -0.9015000     -0.1322000    
 C   6.0000003E-04  -1.069700      5.8499999E-02
 C    3.734800     -0.4513000      6.9700003E-02
 C   -3.729200     -0.4493000     -5.8600001E-02
 C    1.244300     -0.2450000     -0.2253000    
 C   -1.250100     -0.2507000      0.3272000    
 C    3.982300      0.7966000     -0.4771000    
 C   -3.997200      0.7810000      0.5178000    
 C    4.764600      -1.261700      0.5167000    
 C   -4.741800      -1.246000     -0.5656000    
 C    6.347700      0.4436000     -0.1341000    
 C   -6.348900      0.4375000      8.3300002E-02
 C    5.298300       1.247600     -0.5797000    
 C   -5.316700       1.227700      0.5892000    
 C    6.080700     -0.8110000      0.4142000    
 C   -6.061400     -0.7994000     -0.4943000    
 C    8.656200      9.1000004E-03  0.2369000    
 C   -8.642700      1.3500000E-02 -0.3797000    
 H   0.1576000      -1.704700      0.9383000    
 H  -0.1472000      -1.726100     -0.8070000    
 H    2.292000      -1.831200      0.5888000    
 H   -2.268700      -1.811800     -0.5707000    
 H    3.227400       1.478200     -0.8398000    
 H   -3.256200       1.451200      0.9269000    
 H    4.566500      -2.240300      0.9454000    
 H   -4.527700      -2.210700      -1.017300    
 H    5.501400       2.225900      -1.007000    
 H   -5.535800       2.192300       1.039300    
 H    6.847200      -1.485900      0.7794000    
 H   -6.813900      -1.463000     -0.9062000    
 H    9.612900      0.5175000      7.8299999E-02
 H    8.689300     -0.9216000     -0.3396000    
 H    8.565100     -0.1722000       1.313200    
 H   -8.514600     -0.1342000      -1.457500    
 H   -9.605200      0.5161000     -0.2384000    
 H   -8.694100     -0.9347000      0.1661000    


%chk=000226624-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226624

0 1
O 6.567377 1.649722 -1.063922
O -7.122004 0.928033 0.169665
O 0.522517 -1.021398 -0.949333
O -1.934967 -2.689737 2.176742
N 2.215981 -1.588308 0.571422
N -1.956437 -1.398300 0.200665
C 0.046436 -2.728895 0.748805
C 3.298343 -0.760683 0.135385
C -3.259910 -0.824198 0.220543
C 0.941349 -1.701522 0.050174
C -1.383309 -2.248810 1.121635
C 3.202128 0.133592 -0.966885
C -4.216441 -1.088973 1.241168
C 4.516914 -0.851292 0.851653
C -3.605221 0.049456 -0.840737
C 5.531861 0.820906 -0.608661
C -5.825225 0.386088 0.118772
C 4.313984 0.912663 -1.327784
C -5.484344 -0.485271 1.182530
C 5.632996 -0.069066 0.489617
C -4.877877 0.655003 -0.899805
C 7.843183 1.593811 -0.346338
C -7.513661 1.832499 -0.911718
H 0.489049 -3.113967 1.682363
H -0.071790 -3.591071 0.061898
H 2.420144 -2.175391 1.383685
H -1.322372 -1.114893 -0.570095
H 2.264547 0.206172 -1.519706
H -3.951873 -1.758842 2.061335
H 4.602384 -1.537493 1.704449
H -2.872586 0.261616 -1.629217
H 4.257890 1.606251 -2.172127
H -6.230737 -0.678416 1.959218
H 6.559016 -0.162367 1.063875
H -5.111961 1.324505 -1.732442
H 8.494077 2.314910 -0.861689
H 8.291872 0.582537 -0.399875
H 7.722453 1.891801 0.713578
H -6.861534 2.727575 -0.946726
H -8.544485 2.135154 -0.675444
H -7.491770 1.321197 -1.894474


