%chk=000056512.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056512

0 1
 O   -1.516600     -1.9700000E-02 -6.4900003E-02
 O   -1.923200     -0.5406000      -2.271400    
 O   0.2089000      -2.102800      -2.426800    
 N   -2.595900       3.290600     -0.5427000    
 C   -2.818500       1.497900       1.325100    
 C   -2.650400      0.8402000     -5.6499999E-02
 C   -1.613400       2.419300       1.582500    
 C   -4.071100       2.383300       1.262200    
 C   -2.469300       1.934200      -1.124100    
 C   -1.529700       3.472600      0.4661000    
 C   -3.910800       3.407400      0.1261000    
 C   -1.257800     -0.6599000      -1.249200    
 C  -2.5000000E-02  -1.554000      -1.126800    
 C  -0.3068000      -2.705200     -0.1632000    
 C    1.158600     -0.7440000     -0.7719000    
 C   0.7521000      -3.292800      0.4928000    
 C   -1.609700      -3.114400      1.5699999E-02
 C   0.4949000      -4.344000       1.372900    
 C   -1.866700      -4.165400      0.8959000    
 C    2.120100     -8.1000000E-02 -0.4890000    
 C  -0.8144000      -4.780200       1.574500    
 C    3.261400      0.7076000     -0.1424000    
 C    3.156300       2.096800     -8.3800003E-02
 C    4.478300      8.6499996E-02  0.1366000    
 C    4.269700       2.866000      0.2542000    
 C    5.591700      0.8560000      0.4747000    
 C    5.487300       2.245700      0.5335000    
 H   -2.892800      0.7451000       2.116700    
 H   -3.543700      0.2390000     -0.2729000    
 H  -0.6857000       1.836200       1.618800    
 H   -1.721100       2.914800       2.554800    
 H   -4.214300       2.902300       2.217400    
 H   -4.961900       1.768100       1.088800    
 H   -1.501100       1.879500      -1.636400    
 H   -3.231100       1.816700      -1.905500    
 H   -1.595100       4.480000      0.8960000    
 H  -0.5469000       3.424600     -1.9500000E-02
 H   -4.713200       3.277600     -0.6110000    
 H   -4.036300       4.423800      0.5199000    
 H  -0.4309000      -2.818200      -2.584400    
 H    1.783300      -2.991400      0.3419000    
 H   -2.452400      -2.681500     -0.5122000    
 H    1.314500      -4.826400       1.897400    
 H   -2.885400      -4.509900       1.048600    
 H   -1.014300      -5.600300       2.257800    
 H    2.213600       2.594700     -0.2981000    
 H    4.575200     -0.9958000      9.5200002E-02
 H    4.188500       3.948100      0.3002000    
 H    6.539900      0.3731000      0.6923000    
 H    6.354200       2.844700      0.7968000    


%chk=000056512-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056512

0 1
O -1.560286 -0.032806 -0.146552
O -1.970828 -0.572249 -2.376032
O 0.067073 -2.300631 -2.525932
N -2.380798 3.453012 -0.144403
C -2.946599 1.364467 1.307191
C -2.707036 0.950773 -0.156969
C -1.687998 2.081924 1.870683
C -4.147270 2.355496 1.304227
C -2.352779 2.231439 -0.991959
C -1.373460 3.320621 0.954403
C -3.744068 3.614990 0.448472
C -1.313414 -0.698952 -1.311655
C -0.073716 -1.660099 -1.214653
C -0.346308 -2.749262 -0.151928
C 1.114052 -0.837543 -0.905645
C -0.042722 -2.528016 1.212214
C -0.946280 -3.966074 -0.550485
C -0.340407 -3.519193 2.172784
C -1.243148 -4.956223 0.412818
C 2.115352 -0.147325 -0.688081
C -0.943855 -4.736027 1.776934
C 3.279811 0.647413 -0.418335
C 3.279918 2.048516 -0.682151
C 4.454106 0.047449 0.123493
C 4.424320 2.825247 -0.409163
C 5.594415 0.831166 0.393625
C 5.585057 2.221479 0.130002
H -3.182655 0.470746 1.910333
H -3.577432 0.415968 -0.579317
H -0.837400 1.379380 1.894958
H -1.890144 2.396991 2.911304
H -4.381874 2.638654 2.346883
H -5.049285 1.865239 0.889694
H -1.341446 2.128126 -1.425270
H -3.063767 2.355103 -1.826417
H -1.379626 4.261465 1.533141
H -0.376149 3.224251 0.487892
H -4.458179 3.779790 -0.378499
H -3.735289 4.529983 1.066835
H -0.506855 -1.787559 -3.163591
H 0.427369 -1.587041 1.517240
H -1.145278 -4.135433 -1.612289
H -0.098388 -3.344800 3.227257
H -1.700676 -5.900490 0.096809
H -1.171903 -5.506010 2.522718
H 2.382109 2.512965 -1.104418
H 4.458281 -1.029238 0.322983
H 4.413457 3.900824 -0.617393
H 6.491790 0.358989 0.808460
H 6.473207 2.827406 0.340484


