%chk=000157654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157654

0 1
 O  -0.3396000      -2.346200      -1.243000    
 O    2.911400      0.6370000      0.8296000    
 O    3.342300       2.798600      0.3751000    
 O    4.119800       1.194500      -1.086400    
 N   0.6148000     -0.9117000      0.3728000    
 C   -5.670100      0.8858000      9.8999999E-02
 C   -4.269800      0.2665000     -4.0800001E-02
 C   -6.551100      0.2045000       1.170600    
 C   -5.543300       2.373700      0.4921000    
 C   -6.422300      0.7783000      -1.245100    
 C   -3.942400     -0.7936000      0.7670000    
 C   -3.410400      0.8027000     -0.9668000    
 C   -1.770200     -0.8368000     -0.2898000    
 C   -2.671500      -1.354500      0.6405000    
 C   -2.139600      0.2417000      -1.093400    
 C  -0.4459000      -1.423200     -0.4226000    
 C    1.944100      -1.480600      0.2518000    
 C   0.3758000      0.1904000       1.318300    
 C    3.026200     -0.6776000      0.4872000    
 C    2.033900      -2.802400     -9.3800001E-02
 C    4.297700      -1.238900      0.3678000    
 C    3.305400      -3.363500     -0.2133000    
 C    4.437200      -2.581800      1.7600000E-02
 C    3.522600       1.522400     -6.8800002E-02
 C    3.914100       3.823900     -0.4436000    
 C    5.331000       4.090700      1.8100001E-02
 H   -6.110100      0.2774000       2.171700    
 H   -7.535700      0.6853000       1.227400    
 H   -6.732700     -0.8523000      0.9416000    
 H   -5.033300       2.966900     -0.2746000    
 H   -6.530200       2.827800      0.6407000    
 H   -4.980400       2.488500       1.426100    
 H   -7.441000       1.174700      -1.159900    
 H   -5.929400       1.339500      -2.046400    
 H   -6.498100     -0.2655000      -1.572600    
 H   -4.601000      -1.234400       1.504200    
 H   -3.675400       1.640800      -1.601900    
 H   -2.393300      -2.195000       1.271300    
 H   -1.444700      0.6531000      -1.821100    
 H   0.5147000       1.144800      0.8021000    
 H  -0.6462000      0.1688000       1.702800    
 H    1.023700      9.9799998E-02   2.195500    
 H    1.197500      -3.482700     -0.1889000    
 H    5.190800     -0.6510000      0.5641000    
 H    3.414700      -4.415000     -0.4629000    
 H    5.426900      -3.021500     -6.5800004E-02
 H    3.304400       4.723200     -0.3086000    
 H    3.877500       3.565600      -1.508000    
 H    5.957300       3.200900     -0.1019000    
 H    5.348500       4.351100       1.081600    
 H    5.777200       4.910500     -0.5520000    


%chk=000157654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000157654

0 1
O -0.330796 -2.836762 -0.518578
O 2.678162 0.430873 -0.265994
O 2.715182 2.551803 -0.857922
O 4.703642 1.331750 -1.117849
N 0.740471 -1.186477 0.754927
C -5.560812 1.145973 0.054074
C -4.216160 0.382720 0.102708
C -6.778432 0.213890 0.281234
C -5.571721 2.241093 1.163596
C -5.718259 1.824367 -1.340932
C -4.133285 -1.017992 0.318437
C -2.994535 1.087346 -0.086961
C -1.680814 -0.966298 0.189371
C -2.889934 -1.684307 0.346834
C -1.748585 0.432972 -0.040201
C -0.388765 -1.739657 0.120655
C 2.043650 -1.743494 0.487328
C 0.669745 -0.155125 1.819880
C 3.085771 -0.919783 -0.023888
C 2.319551 -3.109115 0.722246
C 4.379371 -1.429260 -0.268224
C 3.603217 -3.638166 0.469457
C 4.627947 -2.797278 -0.016820
C 3.503523 1.420361 -0.781687
C 3.409426 3.778086 -1.372077
C 4.190991 4.473378 -0.256003
H -6.736216 -0.282284 1.268550
H -7.710264 0.807408 0.244720
H -6.849219 -0.566702 -0.498640
H -4.745411 2.963161 1.035436
H -6.522927 2.805241 1.132309
H -5.471607 1.786370 2.166225
H -6.672714 2.381904 -1.387701
H -4.899300 2.537060 -1.544949
H -5.717851 1.068669 -2.147478
H -5.045660 -1.605185 0.455984
H -3.012346 2.165764 -0.282359
H -2.843287 -2.771109 0.474347
H -0.828084 1.002254 -0.212228
H 1.059439 0.815895 1.470373
H -0.372568 -0.032703 2.148152
H 1.271788 -0.491456 2.683873
H 1.511852 -3.747471 1.087381
H 5.162228 -0.777280 -0.657349
H 3.799358 -4.699620 0.652170
H 5.627790 -3.199967 -0.210811
H 2.576513 4.394281 -1.744719
H 4.069091 3.482561 -2.206633
H 5.026919 3.843806 0.091908
H 3.533881 4.707286 0.599138
H 4.611844 5.422417 -0.636707


