%chk=000128612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128612

0 1
 O   0.1193000       1.443700      0.7730000    
 O    2.483700       2.071100       2.157100    
 O    4.047700      0.1148000      -1.064400    
 N    2.818900     -0.4508000     -0.5325000    
 C    2.712800      9.7400002E-02  0.8129000    
 C    2.514400       1.615000      0.8016000    
 C    3.064000      -1.889400     -0.4966000    
 C    1.224500       2.050300      0.1097000    
 C    3.171600      -2.443100      -1.914600    
 C    1.942600      -2.576400      0.2763000    
 C  -0.9891000       1.185900      1.7500000E-02
 C   -1.841400      0.1097000      0.3136000    
 C   -2.978500     -0.1162000     -0.4981000    
 C   -1.254200       2.027400      -1.063400    
 C   -1.590100     -0.7473000       1.397500    
 C   -3.229700      0.7407000      -1.582100    
 C   -2.372300       1.805100      -1.861500    
 C   -3.830800      -1.192500     -0.2020000    
 C   -2.447600      -1.811700       1.677100    
 C   -3.565700      -2.033900      0.8788000    
 H    1.866000     -0.3256000       1.363500    
 H    3.602800     -0.1393000       1.413400    
 H    3.368100       2.110100      0.3249000    
 H    4.009600      -2.110100      1.8300001E-02
 H    1.286900       1.765900     -0.9481000    
 H    1.116200       3.138600      0.1901000    
 H    3.325200      -3.527800      -1.894200    
 H    2.259200      -2.247800      -2.489500    
 H    4.015500      -2.008200      -2.460700    
 H    2.013000      -2.414200       1.356500    
 H    1.994000      -3.662300      0.1330000    
 H   0.9526000      -2.255200     -6.7299999E-02
 H    2.387700       3.038700       2.139100    
 H  -0.6400000       2.890300      -1.302200    
 H    3.689800      0.5716000      -1.844700    
 H  -0.7249000     -0.6020000       2.040700    
 H   -4.098800      0.5870000      -2.218300    
 H   -2.583300       2.465100      -2.698000    
 H   -4.710700      -1.385100     -0.8125000    
 H   -2.241500      -2.467600       2.518000    
 H   -4.232700      -2.862900       1.097000    


%chk=000128612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128612

0 1
O 0.069167 0.913293 0.438023
O 2.046545 1.911448 2.136750
O 4.714815 0.305021 -0.635374
N 3.368793 -0.411311 -0.548739
C 2.864703 0.003211 0.792960
C 2.377851 1.468240 0.774723
C 3.662589 -1.892935 -0.639434
C 1.183412 1.678609 -0.162806
C 4.399284 -2.189548 -1.958950
C 2.326380 -2.669836 -0.577695
C -1.179235 0.934664 -0.202217
C -2.207453 0.147634 0.435761
C -3.525710 0.124190 -0.162361
C -1.442689 1.652728 -1.374792
C -1.963865 -0.605350 1.629146
C -3.774192 0.871430 -1.362679
C -2.751099 1.614422 -1.950129
C -4.551713 -0.654560 0.468681
C -2.986397 -1.354548 2.218741
C -4.291706 -1.378835 1.634502
H 2.017174 -0.652665 1.055052
H 3.652601 -0.099048 1.568017
H 3.209710 2.116937 0.452510
H 4.313515 -2.196257 0.213508
H 1.409792 1.286266 -1.172425
H 0.909560 2.750338 -0.208098
H 4.567811 -3.276422 -2.059611
H 3.795965 -1.851704 -2.822546
H 5.379970 -1.687086 -1.985978
H 1.853534 -2.636979 0.418706
H 2.506598 -3.731449 -0.823736
H 1.612220 -2.259431 -1.314601
H 1.153370 1.536885 2.357047
H -0.663264 2.245491 -1.860866
H 4.701242 0.668428 -1.559213
H -0.962546 -0.586747 2.068852
H -4.774779 0.848693 -1.808552
H -2.940140 2.183810 -2.866692
H -5.550653 -0.671705 0.016724
H -2.790366 -1.927404 3.131763
H -5.085994 -1.968918 2.104929


