%chk=000000638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000638

0 1
 O   -2.335900      1.8300001E-02  0.8866000    
 O   -2.635600      -1.613800      -1.651400    
 O   -4.870600      0.9160000       1.724100    
 O    4.166600      -1.763200      0.3776000    
 N  -8.7099999E-02 -0.2395000      0.1619000    
 N    1.680700       1.406600     -0.1284000    
 N    1.231600      -2.036400      0.4491000    
 N    3.904200      0.5087000      1.0000000E-03
 N    3.507200       2.800900     -0.3781000    
 C   -1.309300      0.5593000      3.9000001E-02
 C   -1.860100      0.6267000      -1.383000    
 C   -3.062000     -0.2899000      -1.345100    
 C   -3.520700     -0.2151000      0.1033000    
 C   -4.491200      0.9316000      0.3577000    
 C    1.199200      0.1785000      8.0100000E-02
 C  -1.4400000E-02  -1.597700      0.3881000    
 C    1.992300     -0.9178000      0.2556000    
 C    3.435700     -0.7925000      0.2217000    
 C    3.069300       1.519100     -0.1596000    
 H   -1.064000       1.560000      0.4119000    
 H   -1.122700      0.3565000      -2.145700    
 H   -2.193600       1.652400      -1.581900    
 H   -3.833000     -1.2400000E-02  -2.069900    
 H   -3.953900      -1.157900      0.4550000    
 H   -5.391400      0.8235000     -0.2551000    
 H   -4.029700       1.903200      0.1540000    
 H  -0.8957000      -2.214200      0.5010000    
 H   -3.411200      -2.195000      -1.571800    
 H    1.094600       2.223900     -0.2633000    
 H   -5.491900       1.652100       1.857300    
 H    4.497100       3.016600     -0.4232000    
 H    2.856300       3.569000     -0.4998000    


%chk=000000638-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000638

0 1
O -1.722668 1.138177 -1.054454
O -3.690578 -1.640909 0.316244
O -1.986403 2.457320 1.458785
O 4.408577 -0.722878 0.043628
N 0.037984 -0.388469 -1.620757
N 0.712123 1.185242 0.224725
N 2.017428 -1.533410 -1.783655
N 2.945305 0.796879 1.087205
N 1.507452 2.366995 2.092511
C -1.352345 0.028531 -1.938926
C -2.404804 -1.092758 -1.685422
C -3.329822 -0.535258 -0.567095
C -2.430852 0.531457 0.106508
C -3.087660 1.672278 0.858499
C 0.916632 0.167337 -0.691091
C 0.773484 -1.419984 -2.262787
C 2.127997 -0.543526 -0.786819
C 3.262507 -0.200913 0.099019
C 1.773403 1.412349 1.124137
H -1.377690 0.429434 -2.965989
H -1.921948 -2.007162 -1.301967
H -2.968085 -1.345159 -2.596926
H -4.228796 -0.049263 -1.001995
H -1.707100 0.013704 0.770501
H -3.750859 1.271804 1.653645
H -3.678319 2.293631 0.155767
H 0.342056 -2.024801 -3.057602
H -4.467795 -1.394487 0.877302
H -0.135684 1.762725 0.210901
H -2.331177 3.335954 1.754522
H 2.256211 2.556954 2.753849
H 0.552228 2.655704 2.296437


