%chk=000124478.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124478

0 1
 O   -2.639700       2.346500     -0.9637000    
 O   -1.251300      -4.446800     -0.2340000    
 O   -2.949000      -3.212400      0.6548000    
 N   -1.914000     -0.9174000     -0.1587000    
 N    1.024500       1.401600     -0.5629000    
 C   -1.298400      0.3343000     -0.6756000    
 C   0.9237000     -0.7566000     -3.0800000E-02
 C   0.1785000      0.3389000     -0.4116000    
 C   0.2817000      -2.080900      0.1908000    
 C   -1.115000      -2.115800     -0.4700000    
 C    2.276400     -0.3389000      8.8299997E-02
 C    2.311900       1.018600     -0.2496000    
 C   -2.005700       1.540400     -8.0799997E-02
 C   -1.888800      -3.285200      5.1399998E-02
 C    3.479300     -0.9793000      0.4474000    
 C    3.495700       1.765200     -0.2444000    
 C   -2.140900       1.998400       1.199900    
 C    4.669300     -0.2429000      0.4575000    
 C    4.675000       1.108000      0.1168000    
 C   -2.917500       3.177900       1.105900    
 C   -3.195600       3.346500     -0.2305000    
 H   -1.445800      0.3492000      -1.763900    
 H   0.9121000      -2.874600     -0.2278000    
 H   0.2051000      -2.264200       1.270400    
 H   -1.038300      -2.216900      -1.560200    
 H   -1.995600     -0.8455000      0.8573000    
 H   0.7521000       2.331000     -0.8524000    
 H    3.490700      -2.032000      0.7149000    
 H    3.502300       2.816900     -0.5108000    
 H   -1.735700       1.548500       2.094900    
 H    5.599400     -0.7323000      0.7342000    
 H    5.611000       1.660500      0.1308000    
 H   -3.234600       3.824300       1.911400    
 H   -3.746400       4.086900     -0.7920000    
 H   -1.742600      -5.226600      0.1020000    


%chk=000124478-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124478

0 1
O -3.102419 2.033557 -0.847022
O -1.577864 -4.484036 -0.673598
O -2.683723 -3.334394 1.016730
N -1.912790 -0.912837 -0.215344
N 1.067973 1.447603 -0.528101
C -1.279918 0.350548 -0.697979
C 0.938169 -0.767832 0.015740
C 0.205805 0.349175 -0.381639
C 0.308803 -2.120984 0.234571
C -1.109537 -2.127897 -0.456325
C 2.321448 -0.349068 0.142522
C 2.372968 1.050749 -0.204286
C -1.983898 1.552747 -0.128517
C -1.893655 -3.328451 0.048081
C 3.521866 -1.011477 0.511223
C 3.576128 1.788151 -0.183227
C -1.808206 2.324811 1.011778
C 4.725790 -0.280081 0.530959
C 4.752628 1.104463 0.188858
C -2.854115 3.327280 1.019389
C -3.615136 3.119634 -0.117935
H -1.414334 0.385493 -1.801523
H 0.928075 -2.931392 -0.195152
H 0.196251 -2.336751 1.317327
H -0.952344 -2.237377 -1.544922
H -2.248867 -0.850581 0.755455
H 0.769948 2.392575 -0.762982
H 3.513804 -2.074413 0.778341
H 3.603795 2.851412 -0.447053
H -1.026540 2.187241 1.756788
H 5.660122 -0.777909 0.813393
H 5.705088 1.645609 0.214123
H -3.017289 4.097101 1.770870
H -4.488300 3.603585 -0.546022
H -2.065929 -5.260955 -0.285522


