%chk=000102517.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102517

0 1
 O  -0.8682000      0.7836000     -0.6077000    
 O    2.167200      -1.806400     -0.4831000    
 O   -4.176400     -0.3092000       1.341300    
 O    5.183100       1.369300       1.278600    
 O    6.570400      0.8456000     -0.4289000    
 N  -0.2335000      -1.068300      0.6374000    
 N   -3.391000     -0.2864000     -0.8416000    
 N    3.079800      0.2050000      0.2268000    
 N   -6.555200      0.7804000      0.4694000    
 C   0.9790000     -0.5055000       1.184700    
 C   -2.281000      -1.188500     -0.6390000    
 C   -1.066600     -0.3675000     -0.2243000    
 C    2.121000     -0.7991000      0.2202000    
 C    1.272300      -1.112700       2.551000    
 C   -1.986000      -1.957800      -1.920500    
 C    4.256700      0.1697000     -0.6102000    
 C   -5.345100       1.030400     -0.3097000    
 C   -4.257000      8.2599998E-02  0.1788000    
 C    3.980500      0.8352000      -1.950000    
 C   -4.899500       2.477600     -0.1416000    
 C    5.449500      0.8220000      6.8499997E-02
 H   0.8449000      0.5780000       1.282700    
 H   -2.545100      -1.889700      0.1612000    
 H  -0.4387000      -2.043400      0.8367000    
 H   -3.489800      0.1502000      -1.753800    
 H    2.182500     -0.6828000       2.982300    
 H   0.4444000     -0.9308000       3.244700    
 H    1.419100      -2.196800       2.482900    
 H   -2.862100      -2.530900      -2.242100    
 H   -1.154000      -2.655000      -1.774900    
 H   -1.710700      -1.281200      -2.737800    
 H    4.522500     -0.8821000     -0.7698000    
 H    2.953100       1.008900      0.8351000    
 H   -5.563200      0.8345000      -1.365800    
 H    3.145600      0.3501000      -2.466900    
 H    4.858100      0.7877000      -2.603400    
 H    3.721900       1.892400      -1.819200    
 H   -4.670300       2.708500      0.9052000    
 H   -5.673800       3.172700     -0.4838000    
 H   -3.991500       2.672600     -0.7230000    
 H   -7.294900       1.412800      0.1663000    
 H   -6.893800     -0.1627000      0.2819000    
 H    5.980600       1.773600       1.681900    


%chk=000102517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102517

0 1
O 0.421921 1.334601 -0.962126
O 2.425709 -1.672595 1.874819
O -3.039690 -1.359509 0.320329
O 4.165725 1.859786 -0.864492
O 6.081457 0.553595 -0.981454
N -0.377249 -0.344453 0.444460
N -2.886005 0.451535 -1.113230
N 2.674857 0.006451 0.279071
N -5.203003 -0.309619 1.595413
C 0.564992 -0.050544 1.550976
C -1.575979 0.034187 -1.673063
C -0.415923 0.405578 -0.701086
C 1.969784 -0.660549 1.256213
C 0.003300 -0.580305 2.876690
C -1.362749 0.661231 -3.056481
C 4.009553 -0.455945 -0.116383
C -4.980358 0.145957 0.216515
C -3.555887 -0.298470 -0.178284
C 3.959241 -1.628759 -1.137918
C -5.229200 1.668785 0.104064
C 4.874956 0.667388 -0.677370
H 0.683556 1.050620 1.587030
H -1.609343 -1.069964 -1.744371
H -1.132739 -1.037309 0.591242
H -3.270314 1.348438 -1.415562
H 0.668548 -0.297715 3.708840
H -1.001875 -0.163846 3.064750
H -0.049608 -1.682143 2.863771
H -2.197378 0.402774 -3.731586
H -0.424092 0.289149 -3.498052
H -1.266104 1.758321 -2.980678
H 4.512972 -0.837361 0.793292
H 2.219649 0.784315 -0.226337
H -5.649375 -0.361356 -0.527897
H 3.408876 -2.467125 -0.680800
H 4.980755 -1.960946 -1.388711
H 3.443273 -1.319292 -2.063850
H -4.501417 2.226526 0.717873
H -6.237624 1.901198 0.489673
H -5.199778 2.030443 -0.942726
H -6.180837 -0.302895 1.893899
H -4.706687 -1.181554 1.809769
H 4.768888 2.547977 -1.255731


