%chk=000113503.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113503

0 1
 O   -5.886400      -2.227100     -0.4355000    
 O    5.890500      -2.227100      0.4509000    
 O   -8.341100       1.401600      0.9182000    
 O    8.351600       1.408500     -0.8725000    
 N   -5.465700      8.6099997E-02 -0.5032000    
 N    5.451500      8.4799998E-02  0.5115000    
 N   -1.745000      0.1114000     -0.7009000    
 N    1.737400      9.6100003E-02  0.6487000    
 N   -7.384800     -0.6400000      0.3565000    
 N    7.394600     -0.6357000     -0.3214000    
 C   -4.155100      0.1191000      -1.115200    
 C    4.140100      0.1138000       1.099800    
 C   -3.055500      0.1066000     -6.3600004E-02
 C    3.056500      9.4999999E-02  3.1599998E-02
 C  -0.6823000      0.1097000      0.2948000    
 C   0.6892000      6.8300001E-02 -0.3631000    
 C   -6.150100       1.298300     -0.1142000    
 C    6.145600       1.298700      0.1267000    
 C   -6.206200      -1.065400     -0.2206000    
 C    6.209100      -1.064700      0.2386000    
 C   -7.431300      0.7289000      0.4545000    
 C    7.437400      0.7331000     -0.4214000    
 H   -4.091500       1.005700      -1.756400    
 H   -4.061800     -0.7669000      -1.754800    
 H    4.063000       1.001200       1.738500    
 H    4.036800     -0.7707000       1.739800    
 H   -3.167700     -0.7807000      0.5724000    
 H   -3.162800      0.9863000      0.5828000    
 H    3.180000     -0.7985000     -0.5931000    
 H    3.171800      0.9681000     -0.6227000    
 H  -0.7609000       1.012500      0.9141000    
 H  -0.7903000     -0.7579000      0.9587000    
 H   0.7778000     -0.8443000     -0.9658000    
 H   0.7947000      0.9268000      -1.038700    
 H   -1.653100     -0.7045000      -1.305500    
 H    1.632000      0.9248000       1.233500    
 H   -6.351400       1.915700     -0.9920000    
 H   -5.581100       1.826000      0.6537000    
 H    6.331300       1.918900       1.006000    
 H    5.586600       1.823200     -0.6508000    
 H   -8.123200      -1.260400      0.6680000    
 H    8.140100      -1.253900     -0.6204000    


%chk=000113503-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113503

0 1
O -6.175853 -2.218746 -0.893951
O 5.931755 -2.252932 0.683775
O -8.570098 1.376997 1.019661
O 8.702526 1.255748 -0.844135
N -5.590562 0.054784 -0.485755
N 5.574898 0.096063 0.486940
N -1.807312 -0.048282 -0.562113
N 1.800779 0.386211 0.487954
N -7.653053 -0.623330 0.117864
N 7.577513 -0.720606 -0.147906
C -4.228563 0.028668 -1.025664
C 4.203384 0.151123 1.002037
C -3.138666 -0.010406 0.072548
C 3.139774 0.269088 -0.116538
C -0.663136 0.136142 0.358228
C 0.658760 0.194924 -0.431961
C -6.240971 1.237990 0.093781
C 6.350752 1.258879 0.033476
C -6.421661 -1.061219 -0.475217
C 6.295377 -1.090544 0.382480
C -7.643782 0.724648 0.485543
C 7.706218 0.649738 -0.386629
H -4.058459 0.910876 -1.670570
H -4.153454 -0.875898 -1.657581
H 4.116533 1.007316 1.701645
H 4.016128 -0.773463 1.573376
H -3.342042 -0.872135 0.753329
H -3.194637 0.909618 0.687868
H 3.167307 -0.653300 -0.725703
H 3.400186 1.117413 -0.799235
H -0.814196 1.095515 0.895179
H -0.575610 -0.660146 1.134296
H 0.812019 -0.768321 -0.959655
H 0.570240 0.984338 -1.215716
H -1.691690 -0.898524 -1.132739
H 1.702093 1.251370 1.037768
H -6.332062 2.068429 -0.632307
H -5.721686 1.621264 0.992510
H 6.507658 2.002633 0.838394
H 5.890946 1.775740 -0.829958
H -8.444442 -1.254497 0.243180
H 8.307390 -1.411765 -0.320999


