%chk=000147656.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147656

0 1
 O    3.337200      -1.058900     -0.6306000    
 O   0.5837000       1.750300      0.2647000    
 N   -2.564600      -2.656200     -0.8476000    
 N   -5.290500      0.1825000      0.9466000    
 N   -1.424000      -1.223500      -2.299400    
 N   -3.529100     -0.2205000       2.428400    
 C    4.089000       1.708500     -0.2706000    
 C    3.354400       2.079600       1.018700    
 C    5.033800      0.5288000     -5.2099999E-02
 C    2.384800       3.237500      0.7923000    
 C    4.280400     -0.7223000      0.3773000    
 C    1.304000       2.876300     -0.2168000    
 C    2.200600      -1.707300     -0.2223000    
 C  -0.7374000       1.662900     -9.0400003E-02
 C    1.007600      -1.533100     -0.9239000    
 C   -1.647900       1.033300      0.7582000    
 C    2.237100      -2.541500      0.8950000    
 C   -1.171200       2.203800      -1.300800    
 C  -0.1487000      -2.192900     -0.5081000    
 C   -2.992100      0.9445000      0.3963000    
 C    1.080700      -3.201500       1.310900    
 C   -2.515300       2.115100      -1.662600    
 C  -0.1122000      -3.027200      0.6092000    
 C   -3.425800       1.485400     -0.8140000    
 C   -1.392800      -2.011000      -1.238900    
 C   -3.941600      0.2874000       1.280600    
 H    3.394900       1.452800      -1.075700    
 H    4.672200       2.569800     -0.6185000    
 H    4.084400       2.372400       1.783000    
 H    2.793300       1.234300       1.426300    
 H    5.792200      0.7818000      0.6974000    
 H    5.557100      0.3315000     -0.9956000    
 H    2.928800       4.125800      0.4519000    
 H    1.917600       3.484900       1.753300    
 H    3.827200     -0.5676000       1.362100    
 H    4.997400      -1.547500      0.4664000    
 H    1.710400       2.670200      -1.211100    
 H   0.6533000       3.758000     -0.2951000    
 H    1.008100     -0.8760000      -1.790000    
 H   -1.281700      0.6192000       1.694100    
 H    3.150900      -2.728800       1.450800    
 H  -0.4911000       2.676400      -2.002900    
 H    1.111000      -3.856400       2.176900    
 H   -2.851300       2.529800      -2.608600    
 H  -0.9806000      -3.564100      0.9744000    
 H   -4.457500       1.441900      -1.144900    
 H   -2.629800      -3.272400     -4.7200002E-02
 H   -3.423400      -2.514300      -1.369300    
 H   -5.689700      0.5432000      8.9100003E-02
 H   -5.938000     -0.2784000       1.577600    
 H   -2.379500      -1.224200      -2.673200    
 H   -4.337000     -0.6354000       2.905800    


%chk=000147656-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147656

0 1
O 2.846606 -1.045533 -0.489039
O 0.383498 2.941283 0.874162
N -1.427422 -4.172537 -3.444046
N -5.098135 1.371512 2.911135
N 0.723265 -3.499545 -4.329384
N -3.001027 1.021726 4.072389
C 4.023968 1.687427 -0.103309
C 3.363268 2.653384 0.911024
C 4.512156 0.364859 0.536938
C 2.551433 3.788781 0.240896
C 3.374416 -0.620928 0.823865
C 1.195953 3.320962 -0.300447
C 1.790584 -1.968434 -0.511177
C -0.919765 2.473141 0.656577
C 1.361137 -2.365349 -1.798118
C -1.643333 2.134178 1.822950
C 1.163266 -2.492959 0.648321
C -1.517897 2.337722 -0.622988
C 0.302526 -3.286958 -1.944064
C -2.969015 1.661151 1.727215
C 0.112272 -3.424268 0.494518
C -2.841391 1.851083 -0.711427
C -0.322159 -3.826660 -0.784910
C -3.571894 1.514361 0.446439
C -0.126337 -3.665215 -3.333376
C -3.700442 1.326573 2.996059
H 3.317799 1.432415 -0.917023
H 4.880219 2.201516 -0.583480
H 4.151865 3.095326 1.551822
H 2.682911 2.102441 1.588522
H 5.039047 0.577351 1.489455
H 5.237007 -0.137874 -0.130780
H 3.130768 4.224012 -0.598788
H 2.366004 4.604255 0.965341
H 2.562702 -0.147941 1.414233
H 3.745606 -1.509376 1.374758
H 1.304823 2.444644 -0.972037
H 0.684551 4.135483 -0.853577
H 1.851006 -1.972001 -2.692879
H -1.180431 2.227210 2.809044
H 1.474363 -2.188655 1.651436
H -0.971106 2.590215 -1.535658
H -0.365744 -3.840864 1.387930
H -3.297960 1.724320 -1.699423
H -1.104388 -4.589156 -0.869349
H -4.577338 1.091227 0.344510
H -2.083646 -4.116824 -2.668579
H -1.776443 -4.491636 -4.345116
H -5.563403 1.783339 2.105357
H -5.667475 1.123554 3.717476
H 0.325505 -3.757145 -5.256962
H -3.592472 0.841308 4.910668


