%chk=000095757.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095757

0 1
 O    3.946500       1.898400     -8.8999998E-03
 N   0.4829000       2.594500      5.4099999E-02
 N    1.823600       2.735700      5.0500002E-02
 N    3.846200      -1.655100     -3.4100000E-02
 C   0.8445000      0.1397000     -1.7500000E-02
 C   2.1600001E-02   1.387500      1.3400000E-02
 C   0.2370000      -1.205000     -3.8999999E-03
 C   -1.445800       1.229000      5.0000002E-04
 C    2.177000      0.3224000     -1.9099999E-02
 C  -4.8799999E-02  -1.825000       1.210400    
 C  -4.8999999E-02  -1.849300      -1.205400    
 C   -2.137500       1.120700       1.201900    
 C   -2.123400       1.189000      -1.212900    
 C    2.730900       1.706700      5.1000002E-03
 C  -0.6236000      -3.095900       1.223300    
 C  -0.6239000      -3.120200      -1.192600    
 C   -3.524200      0.9705000       1.189700    
 C   -3.510200       1.039000      -1.225300    
 C  -0.9111000      -3.743500      2.1800000E-02
 C   -4.210500      0.9297000     -2.3800001E-02
 C    3.097800     -0.7687000     -2.7300000E-02
 H   0.1694000      -1.332900       2.154900    
 H   0.1684000      -1.375800      -2.159700    
 H   -1.612000       1.152300       2.152600    
 H   -1.586800       1.273300      -2.154100    
 H    2.144700       3.698300      7.5700000E-02
 H  -0.8475000      -3.581100       2.168800    
 H  -0.8482000      -3.624200      -2.128100    
 H   -4.069400      0.8853000       2.125100    
 H   -4.044500       1.006800      -2.170200    
 H   -1.358900      -4.732900      3.1800002E-02
 H   -5.290200      0.8125000     -3.3399999E-02


%chk=000095757-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095757

0 1
O 4.010236 1.995976 -0.060293
N 0.463118 2.477429 0.481913
N 1.814407 2.631644 0.402014
N 3.964069 -1.567741 -0.637736
C 0.819125 0.107900 -0.078821
C -0.044148 1.250409 0.226332
C 0.267025 -1.274132 -0.198319
C -1.536562 1.196308 0.257335
C 2.204144 0.333460 -0.183129
C -0.545649 -1.808691 0.838344
C 0.576898 -2.086987 -1.320885
C -2.237923 1.945802 1.239207
C -2.278393 0.474714 -0.715919
C 2.793800 1.672140 0.027955
C -1.029499 -3.130128 0.754456
C 0.075459 -3.402787 -1.410640
C -3.648096 1.958852 1.260546
C -3.689060 0.494081 -0.696206
C -0.725853 -3.930222 -0.372260
C -4.380151 1.230334 0.293808
C 3.147079 -0.718818 -0.433425
H -0.787821 -1.193707 1.711303
H 1.197621 -1.687652 -2.130205
H -1.667000 2.518195 1.977260
H -1.758699 -0.091494 -1.494855
H 2.152247 3.578918 0.601233
H -1.643633 -3.534188 1.566177
H 0.317628 -4.015365 -2.285368
H -4.174673 2.535637 2.028686
H -4.247728 -0.062428 -1.456460
H -1.107411 -4.954908 -0.438243
H -5.475558 1.239148 0.309497


