%chk=000001599.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001599

0 1
 O   -2.378400      0.7316000      0.7651000    
 O   -1.932200      -2.506800     -0.6756000    
 O   -4.584900       2.435400       1.183300    
 N  -0.1834000      0.1215000      0.1275000    
 N   -4.468800     -0.9951000      -1.689300    
 N    1.417400       1.495000     -0.5976000    
 N    1.182600      -1.713600      0.9449000    
 N    4.359500      0.7622000     -0.3711000    
 N    3.559500      -1.260500      0.6267000    
 C   -3.648100     -0.8065000     -0.5027000    
 C   -2.180700      -1.114100     -0.7420000    
 C   -1.524600     -0.3777000      0.4239000    
 C   -3.576100      0.6414000     -2.9200001E-02
 C   -4.771500       1.084200      0.7947000    
 C    1.001600     -0.5109000      0.3786000    
 C   0.1193000       1.322100     -0.4598000    
 C    1.980900      0.3569000     -7.7600002E-02
 C    3.302100     -5.5700000E-02  6.3000001E-02
 C    2.499300      -2.003600       1.026800    
 C    4.179700       1.671100      -1.488800    
 C    5.646800      0.7230000      0.2993000    
 H   -4.040400      -1.452900      0.2929000    
 H   -1.832600     -0.7373000      -1.711400    
 H   -1.437700      -1.008000       1.317100    
 H   -3.431400       1.332100     -0.8707000    
 H   -4.859600      0.4860000       1.707500    
 H   -5.699500       1.008300      0.2200000    
 H   -4.364000      -1.951100      -2.027200    
 H   -4.135900     -0.3938000      -2.442100    
 H   -2.234200      -2.832200      0.1893000    
 H  -0.6392000       2.027400     -0.7715000    
 H   -5.361400       2.691900       1.709300    
 H    2.742400      -2.961700       1.473600    
 H    5.143300       1.925200      -1.945000    
 H    3.718800       2.607300      -1.157900    
 H    3.570900       1.223300      -2.282300    
 H    6.285500       1.560000     -2.4999999E-03
 H    6.173900     -0.2065000      5.9900001E-02
 H    5.520900      0.7856000       1.385800    


%chk=000001599-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001599

0 1
O -2.584839 1.147236 0.472736
O -1.688526 -2.413402 0.562370
O -5.197228 2.460394 -0.401360
N -0.263805 0.565101 0.358977
N -4.347060 -1.739169 -1.095566
N 1.483476 1.957643 -0.122800
N 0.924888 -1.607740 0.435577
N 4.411656 0.675438 -0.455471
N 3.316497 -1.365086 0.001787
C -3.597066 -0.980286 -0.095474
C -2.057820 -1.164892 -0.053300
C -1.611781 0.089379 0.746617
C -3.732445 0.550732 -0.295550
C -5.044230 1.127944 0.203056
C 0.867038 -0.246600 0.273871
C 0.162025 1.877823 0.119261
C 1.952342 0.626928 -0.025541
C 3.246803 0.010318 -0.167046
C 2.199440 -2.079689 0.281982
C 4.480885 2.134647 -0.654512
C 5.690551 -0.047500 -0.573575
H -3.981900 -1.258290 0.905587
H -1.657863 -1.075813 -1.090825
H -1.605097 -0.139383 1.831727
H -3.608360 0.818650 -1.365414
H -5.021805 1.182762 1.311374
H -5.856354 0.444570 -0.124160
H -4.389590 -2.741275 -0.884484
H -4.039479 -1.570482 -2.060587
H -0.665355 -2.408215 0.591201
H -0.537947 2.707845 0.122411
H -6.032197 2.876692 -0.071227
H 2.334012 -3.159152 0.397049
H 4.883888 2.356089 -1.662026
H 5.161776 2.583412 0.094905
H 3.482926 2.586742 -0.555609
H 6.409279 0.328235 0.180123
H 6.122951 0.110807 -1.580152
H 5.510115 -1.118915 -0.411034


