%chk=000102161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102161

0 1
 O    3.205300      -2.122600     -2.2100000E-02
 O    5.172000      -1.417000     -0.9930000    
 O   -1.015900     -0.6915000     -4.8000000E-02
 N    5.535700      0.4754000      0.9196000    
 N   0.5112000       1.595900     -0.2001000    
 N   -1.794600       1.512800     -6.6200003E-02
 N  -0.7897000       3.606100     -0.2003000    
 C    3.059800      0.6052000      0.9434000    
 C    2.954900       1.467100     -0.3248000    
 C    4.299200     -0.3014000      0.9947000    
 C    1.738300       2.388400     -0.2991000    
 C    4.308100      -1.321600     -0.1309000    
 C  -0.6036000       2.244100     -0.1613000    
 C   -3.333200     -0.3768000      4.5899998E-02
 C   -1.935400      0.1214000     -1.5799999E-02
 C    3.084600      -3.145700      -1.015400    
 C   -3.580500      -1.595500      0.6435000    
 C   -4.340500      0.3948000     -0.4959000    
 C   -4.893200      -2.063500      0.7018000    
 C   -5.653200     -7.3200002E-02 -0.4374000    
 C   -5.929500      -1.302300      0.1614000    
 H    2.160000     -1.4700000E-02   1.039400    
 H    3.070100       1.266300       1.820200    
 H    2.893200      0.8168000      -1.205600    
 H    3.853000       2.084300     -0.4395000    
 H    4.305700     -0.8558000       1.941000    
 H    1.733300       2.982100      -1.221200    
 H    1.824800       3.071800      0.5544000    
 H    6.335500     -0.1382000       1.070700    
 H    5.555600       1.159600       1.674900    
 H   -2.626900       2.089100      6.3000000E-03
 H    3.936100      -3.830500     -0.9595000    
 H    2.168400      -3.707500     -0.8148000    
 H    3.011300      -2.699000      -2.011600    
 H   -2.785400      -2.197300       1.073500    
 H   -4.166800       1.336100      -1.006300    
 H   -1.719900       4.008900     -0.1632000    
 H  -1.4900000E-02   4.256200     -0.2691000    
 H   -5.108700      -3.020100       1.168800    
 H   -6.459600      0.5147000     -0.8663000    
 H   -6.951400      -1.667400      0.2052000    


%chk=000102161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102161

0 1
O 2.647942 -1.978304 0.885475
O 3.827154 -1.619891 -1.105140
O -0.602917 -0.583898 0.495934
N 5.516613 0.264204 0.363822
N 0.622893 1.998220 -0.699793
N -1.557814 1.526596 0.096181
N -0.518377 3.479188 0.872173
C 3.173729 1.056558 0.784006
C 3.073926 1.710933 -0.610630
C 4.185620 -0.128214 0.855411
C 1.906542 2.723373 -0.687074
C 3.572578 -1.317462 0.085489
C -0.369674 2.334830 0.064509
C -2.957890 -0.474986 -0.082185
C -1.597901 0.127269 0.178483
C 1.738860 -2.960668 0.236879
C -3.264314 -1.709640 0.545164
C -3.910327 0.119312 -0.951379
C -4.513199 -2.327537 0.330080
C -5.158040 -0.505216 -1.172927
C -5.465440 -1.724704 -0.526678
H 2.178066 0.682613 1.089352
H 3.504848 1.813135 1.521656
H 2.903735 0.943361 -1.388552
H 4.020144 2.235727 -0.846685
H 4.268700 -0.427867 1.915028
H 1.985417 3.291552 -1.635827
H 2.017756 3.458834 0.149224
H 5.531487 0.371639 -0.658195
H 6.258162 -0.379472 0.662503
H -2.447003 2.025151 0.015111
H 2.118549 -3.221229 -0.764899
H 1.715352 -3.844214 0.893569
H 0.750276 -2.478571 0.178325
H -2.507443 -2.167110 1.190898
H -3.667189 1.039318 -1.497001
H -1.103306 3.433586 1.705239
H 0.197174 4.202356 0.840017
H -4.745289 -3.277034 0.824574
H -5.882142 -0.049025 -1.856752
H -6.434059 -2.207214 -0.698086


