%chk=000169764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169764

0 1
 O   -3.512400       2.707900      -1.445500    
 N    2.759800     -8.6599998E-02  0.2872000    
 N   -2.669700      -2.150100      0.9521000    
 C    1.414500     -0.5919000      3.5399999E-02
 C   0.4473000     -0.2639000       1.189200    
 C    2.741500       1.368000      0.4478000    
 C    3.664000     -0.4668000     -0.7994000    
 C  -0.9109000     -0.7959000      0.9602000    
 C   -1.983500     -0.1281000      0.3057000    
 C    4.151900       1.889800      0.7108000    
 C    3.733200      -1.986700     -0.9237000    
 C   -3.074900     -0.9994000      0.3141000    
 C   -1.363500      -2.036500       1.346300    
 C   -2.131100       1.138000     -0.2950000    
 C    4.157300       3.398600      0.9030000    
 C    4.683900      -2.409000      -2.033200    
 C   -4.311400     -0.6666000     -0.2505000    
 C   -3.362000       1.484500     -0.8638000    
 C   -4.434100      0.5946000     -0.8407000    
 H    1.013400     -0.2036000     -0.9109000    
 H    1.401000      -1.683100     -3.3399999E-02
 H   0.3443000      0.8156000       1.337500    
 H   0.8480000     -0.6674000       2.128800    
 H    2.315000       1.863200     -0.4343000    
 H    2.148700       1.664400       1.317800    
 H    3.357600     -1.9300001E-02  -1.753800    
 H    4.693800     -0.1611000     -0.5990000    
 H    4.582500       1.408900       1.597200    
 H    4.828000       1.713900     -0.1301000    
 H    4.057600      -2.435900      2.2700001E-02
 H    2.770200      -2.429800      -1.191100    
 H  -0.8748000      -2.849600       1.864900    
 H   -3.252800      -2.960900       1.106600    
 H   -1.296900       1.834100     -0.3163000    
 H    3.772100       3.910000      1.4800000E-02
 H    3.540500       3.687100       1.760200    
 H    5.176200       3.755100       1.084900    
 H    4.362400      -2.009200      -3.000500    
 H    5.700700      -2.054500      -1.835500    
 H    4.716300      -3.500400      -2.111000    
 H   -5.146500      -1.358700     -0.2329000    
 H   -5.384500      0.8786000      -1.286600    
 H   -2.674500       3.196700      -1.373600    


%chk=000169764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169764

0 1
O -3.507890 2.906649 -1.160164
N 2.676321 -0.002712 -0.082010
N -2.847175 -2.227859 0.940928
C 1.283448 -0.488855 -0.252090
C 0.507981 -0.546522 1.093504
C 2.762976 1.475685 0.043639
C 3.611955 -0.556439 -1.096581
C -0.930449 -0.970741 0.925384
C -2.012578 -0.181433 0.359246
C 3.974566 1.942804 0.879454
C 4.061269 -2.000287 -0.782941
C -3.201251 -0.992402 0.381212
C -1.483225 -2.207618 1.265933
C -2.087522 1.142256 -0.156370
C 4.058321 3.481436 0.979754
C 5.016041 -2.560417 -1.859847
C -4.443323 -0.518281 -0.096620
C -3.329641 1.607313 -0.629192
C -4.498653 0.791599 -0.604913
H 0.712470 0.134395 -0.984854
H 1.313964 -1.509654 -0.673663
H 0.552346 0.449622 1.578263
H 1.046470 -1.240690 1.764063
H 2.790245 1.973216 -0.960650
H 1.841847 1.834908 0.542361
H 3.169700 -0.521337 -2.125660
H 4.511964 0.086941 -1.124507
H 3.894111 1.491942 1.886502
H 4.910432 1.550067 0.435377
H 4.551300 -2.003099 0.208973
H 3.174737 -2.659036 -0.696349
H -1.001328 -3.070912 1.722302
H -3.480444 -3.008042 1.097246
H -1.197988 1.785639 -0.181632
H 4.160675 3.943639 -0.020752
H 3.149346 3.901319 1.451444
H 4.926723 3.796203 1.586407
H 4.530093 -2.581803 -2.853909
H 5.928192 -1.939671 -1.946248
H 5.332774 -3.591026 -1.617213
H -5.344500 -1.140998 -0.077631
H -5.432082 1.212900 -0.989044
H -2.654018 3.405300 -1.142749


