%chk=000114818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114818

0 1
 O    3.412900     -0.9843000      0.2895000    
 O    3.169700       2.515000      0.8491000    
 O    3.685700     -0.5276000      -1.967700    
 N   -2.670000      0.6967000     -0.2625000    
 N   -1.980800      -1.279500      0.5421000    
 N  -0.5140000       1.815400     -0.4813000    
 N    2.713400      0.2596000      0.4006000    
 C  -0.8998000     -0.4607000      0.3357000    
 C   -1.301400      0.7709000     -0.1632000    
 C   -3.036000     -0.5741000      0.1799000    
 C   0.4700000     -0.6710000      0.5416000    
 C    1.333200      0.3780000      0.2289000    
 C   -4.436400     -0.9128000      0.1769000    
 C   -3.581900       1.648800     -0.7040000    
 C   0.7989000       1.562700     -0.2647000    
 C   0.9990000      -1.962800       1.074900    
 C   -5.309200      2.8000001E-02 -0.2567000    
 C   -4.887200       1.342500     -0.7102000    
 C   -4.948900      -2.254600      0.6322000    
 C    3.549800       1.353000      0.6998000    
 C    5.025800       1.053300      0.8546000    
 C    3.844600      -1.240700     -0.9860000    
 C    4.562700      -2.555800      -1.009400    
 H   -3.203500       2.610100      -1.029200    
 H    1.419400       2.390800     -0.5920000    
 H    1.684100      -1.804500       1.913900    
 H   0.1817000      -2.580500       1.464700    
 H    1.481100      -2.545200      0.2847000    
 H   -6.377400     -0.1665000     -0.2829000    
 H   -5.638000       2.048200      -1.044400    
 H   -6.038800      -2.332400      0.5602000    
 H   -4.669200      -2.430600       1.676200    
 H   -4.515300      -3.051600      1.9099999E-02
 H    5.529400       1.927400       1.279300    
 H    5.470500      0.8412000     -0.1205000    
 H    5.183800      0.2132000       1.536000    
 H    4.909900      -2.761000      -2.026100    
 H    5.431000      -2.515300     -0.3468000    
 H    3.882800      -3.355700     -0.7057000    


%chk=000114818-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114818

0 1
O 3.436858 -1.027374 0.001202
O 3.018990 2.157665 1.697891
O 3.783630 0.208623 -1.984302
N -2.620217 0.567514 -0.500920
N -2.027883 -1.236257 0.841075
N -0.386859 1.547867 -0.866467
N 2.771126 0.170187 0.558749
C -0.891394 -0.498336 0.486156
C -1.225643 0.625372 -0.342958
C -3.061527 -0.583185 0.241380
C 0.473296 -0.690701 0.835726
C 1.366564 0.266147 0.284692
C -4.465301 -0.884599 0.259029
C -3.479975 1.400559 -1.199232
C 0.917020 1.343282 -0.548040
C 0.908340 -1.825222 1.726729
C -5.319884 -0.036471 -0.450993
C -4.832648 1.106015 -1.180757
C -4.931311 -2.089744 1.039333
C 3.567845 1.137679 1.196101
C 5.061257 0.859627 1.243867
C 3.864722 -0.864948 -1.371449
C 4.375649 -2.196168 -1.868159
H -3.021399 2.243560 -1.720065
H 1.646495 2.052138 -0.946956
H 1.724836 -1.509511 2.398996
H 0.053116 -2.190724 2.316730
H 1.294279 -2.671462 1.127715
H -6.395110 -0.245701 -0.451546
H -5.525838 1.751954 -1.724844
H -6.025169 -2.212358 0.971173
H -4.646759 -1.999479 2.103561
H -4.443593 -3.009042 0.666970
H 5.520203 1.595113 1.920601
H 5.507323 0.975661 0.239344
H 5.277056 -0.162613 1.597308
H 5.155978 -2.030551 -2.626691
H 4.764338 -2.809937 -1.041232
H 3.543189 -2.746979 -2.343118


