%chk=000158097.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158097

0 1
 O    3.073400     -0.3412000     -0.9833000    
 O    2.184900       2.879500      0.4933000    
 O    2.514700      0.9082000       2.831200    
 O   -2.661700       2.483500     -0.9428000    
 O   -4.402000       1.258500      0.1830000    
 N   0.9775000      -2.323900     -0.5575000    
 C    1.632200     -0.3104000      -1.133000    
 C   0.8491000     -0.9668000      4.6000001E-03
 C    2.449100      0.9400000     -0.8862000    
 C    1.259500     -0.9456000      -2.440200    
 C    1.593600     -0.7209000       1.336200    
 C    2.606900       1.513500      0.4948000    
 C   0.6501000      -2.279500      -1.986400    
 C    1.807600      0.7829000       1.593400    
 C  -0.6075000     -0.4347000      7.0400000E-02
 C   0.5298000      -3.480700      0.1822000    
 C   -1.649600      -1.145100      0.7390000    
 C  -0.9621000      -3.567100      0.4724000    
 C   -1.440200      -2.476200       1.419400    
 C  -0.9300000      0.8172000     -0.5108000    
 C   -2.955500     -0.6057000      0.8020000    
 C   -2.219500       1.303100     -0.4294000    
 C    2.956700       3.654000     -0.4096000    
 C   -3.207500      0.6097000      0.2100000    
 C   -4.049500       2.447700     -0.5526000    
 H    2.628300       1.600300      -1.718600    
 H    2.128600      -1.108000      -3.087000    
 H   0.5265000     -0.3395000      -2.981600    
 H    2.572000      -1.221800       1.339100    
 H    1.058000      -1.158000       2.185800    
 H    3.671200       1.493500      0.7675000    
 H  -0.4306000      -2.286800      -2.167900    
 H    1.097700      -3.116200      -2.532800    
 H   0.8431000       1.280000       1.747300    
 H    1.083400      -3.538000       1.127800    
 H   0.8262000      -4.383900     -0.3667000    
 H   -1.147300      -4.537700      0.9504000    
 H   -1.544300      -3.566200     -0.4570000    
 H  -0.7656000      -2.359000       2.273700    
 H   -2.390300      -2.816400       1.852300    
 H  -0.1909000       1.424800      -1.020400    
 H    1.971800      0.4936000       3.523300    
 H   -3.757300      -1.135000       1.308700    
 H    2.508200       3.651400      -1.406900    
 H    4.006600       3.344900     -0.4480000    
 H    2.930000       4.690400     -5.8600001E-02
 H   -4.669800       2.499800      -1.454800    
 H   -4.261600       3.323000      7.1999997E-02


%chk=000158097-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158097

0 1
O 3.175997 -0.487016 -1.079719
O 1.926789 2.840430 0.293063
O 2.654943 0.985166 2.689298
O -2.654881 2.495045 -1.123976
O -4.404220 1.335068 0.042146
N 0.930179 -2.440123 -0.567115
C 1.665267 -0.407267 -1.225580
C 0.876343 -1.043106 -0.059638
C 2.456246 0.841511 -1.028464
C 1.125916 -1.027786 -2.507438
C 1.659213 -0.790156 1.253436
C 2.544291 1.498407 0.351284
C 0.591621 -2.416061 -2.012985
C 1.832876 0.733371 1.487927
C -0.577383 -0.461042 0.029739
C 0.525556 -3.591187 0.239527
C -1.621952 -1.149384 0.732536
C -0.978842 -3.673989 0.602510
C -1.430161 -2.474499 1.473813
C -0.859997 0.790660 -0.600792
C -2.935781 -0.590415 0.784943
C -2.152653 1.304023 -0.529915
C 2.869016 3.898480 -0.078220
C -3.178246 0.626402 0.149770
C -4.029068 2.636862 -0.576561
H 2.658891 1.506361 -1.880550
H 1.934740 -1.126827 -3.248824
H 0.315990 -0.421367 -2.948006
H 2.649790 -1.269605 1.172381
H 1.130241 -1.214097 2.127646
H 3.617617 1.581501 0.625653
H -0.503162 -2.495455 -2.210401
H 1.089456 -3.262000 -2.522210
H 0.836254 1.201499 1.610737
H 1.113024 -3.580046 1.179983
H 0.830747 -4.504700 -0.308651
H -1.150711 -4.613029 1.167089
H -1.598607 -3.729523 -0.313143
H -0.695246 -2.355237 2.296669
H -2.387970 -2.731847 1.962405
H -0.081944 1.358341 -1.114793
H 2.127791 0.748605 3.493328
H -3.737670 -1.111341 1.316033
H 3.287875 3.753539 -1.096408
H 3.703432 3.958037 0.649867
H 2.292680 4.837030 -0.057357
H -4.724252 2.854301 -1.401521
H -4.026137 3.417667 0.208182


