%chk=000130736.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130736

0 1
 O   0.2004000       2.097000      -1.760500    
 O   -6.220300      -2.659900      0.2074000    
 O   -6.508100     -0.5958000     -0.7033000    
 N    5.043600      -1.498700      0.1751000    
 C  -0.4577000       2.034200      0.5633000    
 C   0.4472000       1.696300     -0.6234000    
 C    1.658000      0.8540000     -0.4128000    
 C   -1.850100       1.562700      0.2208000    
 C  -0.4557000       3.545000      0.8018000    
 C    3.897000     -0.7020000     -2.4000000E-02
 C    2.295400      0.9047000      0.8071000    
 C    2.096600      5.5500001E-02  -1.445900    
 C    3.429400      0.1168000       1.004000    
 C    3.230600     -0.7326000      -1.249000    
 C   -2.428700      0.3671000      0.4647000    
 C    6.089700      -1.066400       1.080400    
 C    5.184400      -2.767100     -0.5122000    
 C   -1.619700     -0.7026000       1.159700    
 C   -3.799200      3.8400002E-02  7.5300001E-02
 C   -4.421100      -1.131500      0.2930000    
 C   -5.811700      -1.415200     -0.1215000    
 H  -0.1291000       1.560900       1.489200    
 H   -2.457100       2.299500     -0.3087000    
 H   0.5531000       3.891400       1.052300    
 H  -0.7775000       4.100800     -8.6700000E-02
 H   -1.120900       3.813900       1.629700    
 H    1.979000       1.554000       1.615900    
 H    1.586000      1.9099999E-02  -2.403500    
 H    3.922500      0.1606000       1.971000    
 H    3.574900      -1.351000      -2.073200    
 H    5.813900      -1.274000       2.119600    
 H    6.298400      3.8999999E-03  0.9710000    
 H    7.029500      -1.592100      0.8775000    
 H    5.516800      -2.614300      -1.544400    
 H    4.242400      -3.327200     -0.5176000    
 H    5.926700      -3.404200     -1.8300001E-02
 H  -0.5778000     -0.4428000       1.351300    
 H   -2.069100     -0.9484000       2.128400    
 H   -1.588300      -1.612600      0.5490000    
 H   -4.341200      0.8323000     -0.4355000    
 H   -3.920400      -1.950000      0.8015000    
 H   -7.144000      -2.831000     -7.5199999E-02


%chk=000130736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130736

0 1
O 0.764215 2.877726 -1.910061
O -5.591150 -2.919076 1.240627
O -5.280868 -2.079172 -0.909990
N 4.728808 -1.875726 -0.008616
C -0.436764 2.407758 0.168481
C 0.722411 2.176352 -0.851219
C 1.735485 1.125269 -0.580794
C -1.527793 1.394416 -0.111964
C -0.989939 3.850819 0.028350
C 3.756602 -0.897030 -0.193106
C 1.710311 0.263807 0.552577
C 2.799690 0.950242 -1.513822
C 2.687343 -0.722721 0.747636
C 3.785162 -0.024727 -1.334565
C -2.164389 0.552147 0.774272
C 4.676163 -2.758895 1.165827
C 5.806349 -2.044463 -0.995724
C -1.860932 0.489503 2.260726
C -3.203239 -0.329698 0.240250
C -3.942744 -1.232853 0.963217
C -4.959373 -2.066789 0.306941
H -0.043563 2.276028 1.192445
H -1.852740 1.365815 -1.164294
H -0.198055 4.589000 0.248114
H -1.334945 4.032121 -1.002688
H -1.831374 4.008939 0.725615
H 0.909268 0.348594 1.293710
H 2.822614 1.608462 -2.389065
H 2.620018 -1.363483 1.630977
H 4.580363 -0.115834 -2.079563
H 3.741996 -3.355087 1.188798
H 4.741793 -2.185563 2.112021
H 5.524513 -3.459800 1.135279
H 6.428066 -1.131391 -1.084337
H 5.406006 -2.286947 -2.000090
H 6.461797 -2.871922 -0.683211
H -1.116766 1.240370 2.570434
H -2.777649 0.668549 2.853248
H -1.482694 -0.510764 2.547436
H -3.409224 -0.266801 -0.838690
H -3.816121 -1.375654 2.039867
H -6.270849 -3.462818 0.758251


