%chk=000093881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093881

0 1
 O  -0.9563000       3.397200       1.107100    
 O   -1.526500      0.8454000      -1.867900    
 O    4.784900      -2.916100     -0.7072000    
 N  -0.6661000      0.7918000      0.2853000    
 N   0.5026000       4.040800     -0.5463000    
 C   0.4281000       1.700600      5.3399999E-02
 C    1.613200       1.431200      0.9876000    
 C    2.461700      0.2682000      0.5339000    
 C  -0.1063000       3.109000      0.2679000    
 C    2.159300      -1.008100      0.9809000    
 C    3.527800      0.4980000     -0.3212000    
 C   -1.565000      0.4356000     -0.7106000    
 C   -2.653100     -0.4908000     -0.3046000    
 C    2.943500      -2.082800      0.5618000    
 C    4.312000     -0.5766000     -0.7403000    
 C    4.019900      -1.867300     -0.2988000    
 C   -3.847500     -0.4579000     -0.9939000    
 C   -2.434100      -1.354700      0.7483000    
 C   -4.869100      -1.327800     -0.6130000    
 C   -3.455800      -2.224700       1.129200    
 C   -4.673300      -2.211100      0.4484000    
 H   0.7376000       1.604000     -0.9954000    
 H    1.267400       1.258100       2.016000    
 H    2.253900       2.321400       1.052000    
 H  -0.8344000      0.5142000       1.246600    
 H    1.323800      -1.186700       1.651600    
 H    3.761400       1.499100     -0.6725000    
 H    2.705300      -3.083300      0.9131000    
 H    5.148700     -0.4023000      -1.411300    
 H   0.2483000       5.021700     -0.4952000    
 H    1.220800       3.791800      -1.218900    
 H   -4.017800      0.2272000      -1.819000    
 H   -1.490900      -1.419700       1.280600    
 H   -5.817500      -1.316800      -1.142300    
 H   -3.301200      -2.918300       1.950600    
 H   -5.468200      -2.889600      0.7440000    
 H    4.440600      -3.732500     -0.3060000    


%chk=000093881-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093881

0 1
O 0.683142 4.100271 1.655725
O -1.579947 1.783510 -1.565674
O 3.761188 -3.632448 -0.363000
N -0.387918 1.104756 0.305956
N -0.750946 4.089214 -0.187624
C 0.679113 2.116968 0.153036
C 1.944266 1.693353 0.936290
C 2.421230 0.285031 0.611391
C 0.206042 3.533504 0.627060
C 2.455804 -0.718784 1.610202
C 2.845860 -0.066676 -0.699077
C -1.398875 0.939062 -0.615998
C -2.283197 -0.263404 -0.451925
C 2.894187 -2.032575 1.322226
C 3.285067 -1.367666 -1.006073
C 3.308500 -2.353994 0.008741
C -3.585078 -0.207261 -1.011635
C -1.855362 -1.448634 0.203795
C -4.458820 -1.307426 -0.893257
C -2.730683 -2.550704 0.317168
C -4.035763 -2.480342 -0.223542
H 0.892244 2.186862 -0.931568
H 1.739147 1.802563 2.016821
H 2.727987 2.439452 0.710207
H -0.320835 0.469267 1.103140
H 2.154825 -0.470138 2.635694
H 2.837276 0.690240 -1.493100
H 2.920940 -2.790328 2.116395
H 3.615076 -1.638136 -2.013362
H -1.134467 5.002228 0.057858
H -1.150129 3.521500 -0.954543
H -3.884348 0.703865 -1.539547
H -0.830036 -1.539885 0.583718
H -5.465047 -1.254264 -1.322724
H -2.391531 -3.466534 0.813241
H -4.712983 -3.336958 -0.134196
H 3.761773 -4.247291 0.412082


