%chk=000058528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058528

0 1
 O    3.217300      0.6122000     -0.6826000    
 O   0.8543000      -1.520700       2.153700    
 N   0.5529000      -1.028800     -0.1454000    
 N    2.650100      -1.175900      0.6832000    
 C    1.436300     -0.8881000      -1.287500    
 C    2.821000     -0.7494000     -0.6749000    
 C  -0.8434000     -0.9393000     -0.2059000    
 C    1.290800      -1.268600       1.038000    
 C   -1.514700      0.2836000     -4.3400001E-02
 C   -2.927800      0.3126000     -0.1167000    
 C   -1.555100      -2.116700     -0.4375000    
 C  -0.8145000       1.478200      0.1902000    
 C    4.510500      0.7857000     -0.1164000    
 C   -3.627900     -0.8823000     -0.3500000    
 C   -2.944600      -2.088300     -0.5092000    
 C   -3.599100       1.535700      4.5699999E-02
 C   -1.497500       2.684200      0.3496000    
 C   -2.887200       2.713000      0.2775000    
 C    4.878700       2.253100     -0.1684000    
 H    1.142300     -3.0400001E-02  -1.900500    
 H    1.356700      -1.810300      -1.873600    
 H    3.560700      -1.372300      -1.189100    
 H    3.407000      -1.334400       1.340600    
 H   -1.036800      -3.064100     -0.5639000    
 H   0.2706000       1.502800      0.2548000    
 H    4.530400      0.4656000      0.9301000    
 H    5.245200      0.2022000     -0.6827000    
 H   -4.714300     -0.8838000     -0.4101000    
 H   -3.498200      -3.005200     -0.6893000    
 H   -4.684800       1.581500     -6.6999998E-03
 H  -0.9441000       3.601200      0.5302000    
 H   -3.418200       3.652200      0.4016000    
 H    5.872200       2.423000      0.2562000    
 H    4.869600       2.616400      -1.201400    
 H    4.149900       2.853400      0.3863000    


%chk=000058528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058528

0 1
O 3.199177 0.704445 -0.454815
O 1.045505 -2.339574 1.822735
N 0.584804 -1.037601 -0.138471
N 2.718277 -1.601462 0.295383
C 1.367019 -0.613518 -1.325241
C 2.827994 -0.676522 -0.821379
C -0.844009 -0.980032 -0.079473
C 1.397771 -1.726702 0.783460
C -1.507642 0.302491 -0.115054
C -2.957041 0.328360 -0.150182
C -1.588134 -2.161749 0.014212
C -0.794074 1.547384 -0.078051
C 4.575360 0.828649 0.062856
C -3.687927 -0.903473 -0.081014
C -3.014958 -2.121669 0.026744
C -3.628890 1.594515 -0.216204
C -1.479857 2.763485 -0.127220
C -2.907950 2.789892 -0.215812
C 4.867743 2.319466 0.228944
H 1.125103 0.409444 -1.649884
H 1.202631 -1.311801 -2.169103
H 3.548099 -1.044539 -1.580595
H 3.498923 -1.970009 0.833109
H -1.063510 -3.119481 0.080842
H 0.295373 1.536543 0.032870
H 4.660268 0.302246 1.037335
H 5.286004 0.358380 -0.654156
H -4.783705 -0.871798 -0.098272
H -3.575842 -3.059245 0.102973
H -4.724895 1.606900 -0.253256
H -0.923354 3.706264 -0.085048
H -3.431470 3.751117 -0.262734
H 5.886812 2.471065 0.628927
H 4.788372 2.840881 -0.740248
H 4.146323 2.775646 0.928322


