%chk=000116949.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116949

0 1
 O   0.8183000      0.3221000     -0.4288000    
 O  -0.4854000       2.106700      0.2449000    
 O   -5.004500     -3.6800001E-02  0.3773000    
 O   -3.724300      -1.795800     -0.2885000    
 N    3.390300     -0.7649000      0.1375000    
 C    3.200200      0.3244000     -0.7918000    
 C    1.987900       1.146200     -0.3881000    
 C    3.570400     -0.2664000       1.507400    
 C    4.542500      -1.591900     -0.2449000    
 C  -0.3446000      0.9403000     -8.6900003E-02
 C   -1.430200     -6.1600000E-02 -0.1851000    
 C   -2.685400      0.3013000      0.1066000    
 C   -3.835200     -0.6235000      4.0399998E-02
 H    3.023300     -8.3700001E-02  -1.794800    
 H    4.082600      0.9741000     -0.8476000    
 H    1.861000       1.945200      -1.130100    
 H    2.090900       1.633400      0.5872000    
 H    2.636000      0.1142000       1.930900    
 H    4.342500      0.5090000       1.571200    
 H    3.866200      -1.085700       2.174300    
 H    4.638500      -2.453000      0.4258000    
 H    5.480900      -1.026100     -0.2219000    
 H    4.406000      -1.995300      -1.254500    
 H   -1.179400      -1.071100     -0.4920000    
 H   -2.916500       1.317900      0.4127000    
 H   -5.758200     -0.6627000      0.3281000    


%chk=000116949-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116949

0 1
O 0.866645 1.056026 -1.155770
O 0.254173 1.320323 1.096187
O -4.358582 -0.893302 1.014111
O -3.722262 -1.193041 -1.206859
N 3.011027 -0.530633 0.247286
C 3.238327 0.432095 -0.843640
C 2.224826 1.588174 -0.875421
C 3.276853 0.012122 1.595135
C 3.681987 -1.824192 0.008935
C 0.014077 0.894630 -0.060771
C -1.220111 0.191086 -0.496673
C -2.234154 -0.055554 0.377357
C -3.463483 -0.758747 -0.058562
H 3.168984 -0.112406 -1.803427
H 4.260556 0.898340 -0.804263
H 2.449852 2.261721 -1.718651
H 2.199381 2.158751 0.068729
H 2.594503 0.851473 1.810171
H 4.333964 0.356694 1.727430
H 3.075290 -0.771223 2.346518
H 3.388191 -2.541027 0.795994
H 4.799383 -1.754936 0.008364
H 3.363023 -2.237971 -0.964350
H -1.285468 -0.123278 -1.543679
H -2.166686 0.257910 1.424043
H -5.176495 -1.366734 0.701106


