%chk=000049310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049310

0 1
 O  -0.3637000      0.2286000      -2.304800    
 O  -0.1437000     -2.1800000E-02   2.379200    
 O    3.521500       1.233900     -7.9800002E-02
 N    1.603800      0.6351000      -1.197500    
 N    1.713900      0.5094000       1.142300    
 C  -0.2100000     -0.5003000      2.9000000E-03
 C   0.1542000      -1.992700     -9.4300002E-02
 C   -1.736700     -0.3548000      8.2400002E-02
 C   0.3001000      0.1676000      -1.270200    
 C   0.4203000      3.0700000E-02   1.286500    
 C  -0.2931000      -2.728400       1.163200    
 C  -0.4738000      -2.609800      -1.338200    
 C   -2.171900       1.082900      4.3200001E-02
 C    2.366400      0.8060000     -4.8300002E-02
 C   -2.259400       1.811700       1.353300    
 C   -2.427800       1.701900      -1.119800    
 H    1.243400      -2.109100     -0.1791000    
 H   -2.161800     -0.8038000      0.9868000    
 H   -2.244300     -0.8531000     -0.7502000    
 H   -1.370100      -2.687800       1.342400    
 H  -5.0500002E-02  -3.793900       1.058300    
 H   0.2349000      -2.403300       2.063300    
 H   -1.564900      -2.659700      -1.309800    
 H  -0.1429000      -3.654300      -1.413500    
 H  -0.1546000      -2.145600      -2.273300    
 H    2.018400      0.9608000      -2.066200    
 H    2.209700      0.7426000       1.998100    
 H   -2.878000       2.712200       1.264700    
 H   -2.723800       1.185200       2.121300    
 H   -1.273200       2.133700       1.696300    
 H   -2.437100       1.188400      -2.072600    
 H   -2.714300       2.749100      -1.137300    


%chk=000049310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049310

0 1
O -0.203932 -0.055416 -2.562048
O -0.090401 0.248117 2.237264
O 3.633110 1.286020 -0.325712
N 1.708548 0.518150 -1.410951
N 1.776805 0.637333 0.942501
C -0.208051 -0.466807 -0.123038
C 0.165156 -2.043585 -0.068679
C -1.751467 -0.236873 -0.099216
C 0.386979 0.031841 -1.454178
C 0.450779 0.183151 1.104252
C -0.054465 -2.672053 1.328767
C -0.601790 -2.854054 -1.141756
C -2.198409 1.219071 0.113952
C 2.462137 0.836959 -0.267640
C -2.906769 1.513092 1.423709
C -2.013573 2.178455 -0.834102
H 1.249679 -2.108668 -0.299727
H -2.174537 -0.865208 0.703133
H -2.142492 -0.604696 -1.063701
H -1.099535 -2.562496 1.668196
H 0.167130 -3.753126 1.267190
H 0.596012 -2.236077 2.104632
H -1.671318 -2.946243 -0.881973
H -0.181962 -3.875490 -1.187176
H -0.529191 -2.405931 -2.146330
H 2.150126 0.738821 -2.309605
H 2.261267 0.961537 1.786083
H -3.191242 2.576287 1.504654
H -3.829660 0.904592 1.508480
H -2.263933 1.244177 2.281681
H -1.556318 1.961764 -1.805308
H -2.347684 3.208757 -0.664053


