%chk=000135174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135174

0 1
 O   0.1291000      -1.941100     -5.0099999E-02
 O   -5.038200       2.030900      0.7829000    
 O    6.272500     -0.6468000     -0.9744000    
 O   -1.109300      -3.253400       1.524000    
 N   -2.320300      -4.583300     -0.6950000    
 N   -3.054300      -5.371100     -0.6352000    
 C   -1.950400       1.181500      0.1147000    
 C  -0.8671000       2.067500     -0.5307000    
 C   0.5160000       1.863800      9.4499998E-02
 C   0.9576000      0.3710000     -8.5600004E-02
 C    2.406100      0.1044000      0.5196000    
 C   -1.564200     -0.2745000     -0.1489000    
 C  -0.1596000     -0.6155000      0.3912000    
 C   -3.183800       1.674800     -0.6737000    
 C   -1.491400       3.459900     -0.5062000    
 C    1.548800       2.806200     -0.5342000    
 C   -2.983800       3.200300     -0.7765000    
 C    3.380600       1.183200      1.5200000E-02
 C   -2.132100       1.410000       1.637300    
 C    2.916100       2.616400      0.1027000    
 C    2.910000      -1.300100      7.3399998E-02
 C    2.392200      0.1521000       2.064800    
 C   -4.499000       1.311900     -5.6899998E-02
 C    4.406300      -1.510800      0.2488000    
 C    4.607400      0.9311000     -0.4717000    
 C    5.173000     -0.4352000     -0.4677000    
 C   -5.130000      2.5500000E-02 -0.5167000    
 C  -0.8063000      -2.943300      0.3313000    
 C   -1.326100      -3.515300     -0.7769000    
 H  -0.7768000       1.791700      -1.594900    
 H   0.4621000       2.104400       1.161500    
 H    1.056700      0.2047000      -1.170900    
 H   -1.595000     -0.4831000      -1.227500    
 H   -2.326600     -0.9199000      0.2984000    
 H  -0.1830000     -0.6088000       1.486300    
 H   -3.168500       1.272900      -1.696300    
 H   -1.060600       4.118900      -1.266700    
 H   -1.355800       3.943500      0.4676000    
 H    1.243700       3.850200     -0.3977000    
 H    1.612800       2.631800      -1.616100    
 H   -3.593700       3.780600     -7.6499999E-02
 H   -3.252200       3.541100      -1.783700    
 H   -1.214800       1.233600       2.205000    
 H   -2.457200       2.428600       1.871700    
 H   -2.884200      0.7253000       2.046000    
 H    2.877800       2.916000       1.157200    
 H    3.625700       3.297900     -0.3826000    
 H    2.667500      -1.455300     -0.9870000    
 H    2.403400      -2.090800      0.6374000    
 H    3.406400      9.9799998E-02   2.477800    
 H    1.942300       1.072000       2.450100    
 H    1.832300     -0.6887000       2.487900    
 H    4.684600      -2.480700     -0.1785000    
 H    4.697600      -1.508200       1.303900    
 H    5.255400       1.722900     -0.8327000    
 H   -5.218400      2.3499999E-02  -1.606000    
 H   -4.537300     -0.8276000     -0.1840000    
 H   -6.133900     -5.9000000E-02 -9.0400003E-02
 H   -1.020000      -3.199300      -1.770000    


%chk=000135174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135174

0 1
O -0.117210 -1.898074 -0.309086
O -5.249744 2.340124 0.700870
O 6.283141 -0.765985 -1.051210
O -1.188656 -2.808467 1.585049
N -0.762415 -5.350547 0.319881
N -1.119389 -6.344963 0.839282
C -2.073696 1.363547 0.069912
C -0.911876 2.254024 -0.471045
C 0.460578 1.897206 0.135358
C 0.832137 0.406216 -0.211222
C 2.262662 -0.026722 0.349721
C -1.736314 -0.091771 -0.313881
C -0.345608 -0.511121 0.227899
C -3.284695 2.017894 -0.716495
C -1.453883 3.696241 -0.336318
C 1.556298 2.861483 -0.361762
C -2.980501 3.551849 -0.656636
C 3.301463 1.072848 0.025474
C -2.297601 1.495487 1.600188
C 2.914180 2.515028 0.281204
C 2.721259 -1.361868 -0.326781
C 2.223476 -0.207195 1.902305
C -4.667036 1.641906 -0.173718
C 4.213016 -1.697945 -0.121616
C 4.564215 0.793290 -0.435238
C 5.115353 -0.565875 -0.594959
C -5.316107 0.384437 -0.739252
C -0.625419 -2.950438 0.467717
C -0.374891 -4.210432 -0.233731
H -0.841302 2.035318 -1.562670
H 0.402297 2.007928 1.238858
H 0.899133 0.349063 -1.320661
H -1.725510 -0.198382 -1.417420
H -2.479244 -0.804177 0.091665
H -0.392412 -0.594688 1.328241
H -3.217323 1.652051 -1.762045
H -0.954255 4.400149 -1.024495
H -1.299891 4.078447 0.690755
H 1.280851 3.902136 -0.108789
H 1.635577 2.803507 -1.466691
H -3.608596 4.018736 0.121339
H -3.239617 4.030530 -1.617682
H -1.378604 1.290900 2.175792
H -2.658667 2.499494 1.878687
H -3.061053 0.772772 1.940464
H 2.830114 2.681361 1.376847
H 3.710379 3.189572 -0.081499
H 2.520439 -1.289752 -1.414171
H 2.109681 -2.195981 0.048164
H 3.235566 -0.402777 2.297750
H 1.837812 0.690686 2.417512
H 1.584577 -1.063151 2.183868
H 4.490818 -2.623758 -0.656162
H 4.429676 -1.878398 0.951480
H 5.257499 1.613056 -0.665995
H -5.648551 0.579077 -1.778281
H -4.597228 -0.453511 -0.786639
H -6.191311 0.098260 -0.135423
H 0.116509 -4.250544 -1.205412


