%chk=000057293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057293

0 1
 O  -0.4872000     -6.4199999E-02  -1.703200    
 N   0.7479000     -0.3389000      0.2453000    
 N   -2.803200     -0.1474000     -0.2303000    
 C    2.940700      0.6447000      0.8237000    
 C    4.137500      -1.059000      3.3599999E-02
 C    3.605900     -0.6109000       1.393300    
 C    2.027600      6.4700000E-02 -0.2781000    
 C    2.846300      -1.130700     -0.8032000    
 C    4.134100       1.344300      0.1492000    
 C    4.952300      0.1693000     -0.4070000    
 C  -0.4154000     -0.3710000     -0.5152000    
 C   -1.616700     -0.8038000      0.3001000    
 C   -2.667200       1.308900     -0.1534000    
 C   -4.001400     -0.5825000      0.4912000    
 C   -1.458100       1.770900     -0.9619000    
 C   -2.543400       1.730800       1.307300    
 C   -4.182700      -2.091600      0.3543000    
 C   -5.217100      0.1664000     -4.5499999E-02
 H    2.424700       1.270500       1.555600    
 H    4.711000      -1.988000      3.2600001E-02
 H    2.899900      -1.320300       1.836600    
 H    4.399600     -0.3879000       2.114300    
 H    1.857000      0.7942000      -1.078400    
 H    3.049300      -1.043700      -1.875800    
 H    2.330300      -2.082700     -0.6311000    
 H    4.726100       1.899800      0.8855000    
 H    3.826800       2.041800     -0.6365000    
 H    5.070400      0.2277000      -1.493700    
 H    5.950300      0.1583000      4.5600001E-02
 H   0.7107000     -0.6605000       1.208100    
 H   -1.459900     -0.6654000       1.374300    
 H   -1.656100      -1.885900      0.1284000    
 H   -3.520500       1.820600     -0.6103000    
 H   -3.935800     -0.4031000       1.570700    
 H   -1.542200       1.591000      -2.041100    
 H  -0.4783000       1.816000     -0.4780000    
 H   -1.610600       2.868300      -1.003700    
 H   -3.430300       1.530500       1.913300    
 H   -2.425100       2.822400       1.342900    
 H   -1.662600       1.335700       1.820900    
 H   -5.167700      -2.395600      0.7278000    
 H   -4.120100      -2.413800     -0.6915000    
 H   -3.450600      -2.657400      0.9394000    
 H   -5.253600      0.1583000      -1.141300    
 H   -6.140500     -0.3121000      0.3030000    
 H   -5.276000       1.201100      0.3063000    


%chk=000057293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057293

0 1
O -0.097957 -2.929488 0.708890
N 0.439538 -0.660468 0.461415
N -2.137550 0.194592 0.728510
C 2.189485 -0.873160 -1.363442
C 3.439734 0.884847 -0.616426
C 2.342385 0.639543 -1.695363
C 1.866521 -0.838687 0.170139
C 2.723461 0.380956 0.673063
C 3.653094 -1.382175 -1.524623
C 4.517807 -0.164678 -1.023653
C -0.425626 -1.700321 0.687467
C -1.879411 -1.251997 0.972833
C -2.651281 0.934532 1.936360
C -2.910011 0.430478 -0.545704
C -1.629177 0.890714 3.094000
C -4.057598 0.472608 2.409083
C -2.130809 -0.119261 -1.764154
C -3.213759 1.927567 -0.778193
H 1.444655 -1.445135 -1.938538
H 3.824972 1.914771 -0.535025
H 1.419735 1.225630 -1.523761
H 2.695703 0.826433 -2.725430
H 2.164399 -1.794316 0.636666
H 3.436477 0.091627 1.465005
H 2.066206 1.166599 1.093268
H 3.868762 -1.617681 -2.582381
H 3.830984 -2.301512 -0.937970
H 5.172870 -0.429998 -0.173987
H 5.163117 0.227842 -1.830795
H -0.022234 0.261909 0.435529
H -2.074161 -1.514612 2.028827
H -2.545850 -1.907039 0.376461
H -2.726772 1.992679 1.628588
H -3.886282 -0.115902 -0.498522
H -0.633695 1.223334 2.750417
H -1.520431 -0.121180 3.525162
H -1.959844 1.561258 3.908172
H -4.804554 0.554396 1.598408
H -4.404326 1.097021 3.253180
H -4.042004 -0.577990 2.754408
H -2.750937 -0.019965 -2.673875
H -1.195231 0.449721 -1.916952
H -1.866894 -1.184715 -1.654928
H -2.285377 2.525560 -0.713292
H -3.633584 2.058751 -1.791587
H -3.948449 2.336713 -0.063150


