%chk=000117223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117223

0 1
 O  -0.6923000     -0.5433000      0.1454000    
 O    1.018000       1.691800      0.1440000    
 O   -2.107400      -2.146600     -0.6923000    
 O    1.627300       3.335500      -1.348200    
 N   -2.918000     -0.2059000      0.2869000    
 N   0.1741000       3.769600      0.3800000    
 C    1.780600     -0.6483000      0.1256000    
 C    3.029900      -1.497700     -0.3459000    
 C    1.762500     -0.4839000       1.685800    
 C   0.4268000      -1.327300     -0.2395000    
 C    1.841000      0.7563000     -0.5445000    
 C    3.147700      -2.898400      0.2752000    
 C    3.144100      -1.648400      -1.871400    
 C    2.964800      0.2244000       2.299900    
 C   -1.928300      -1.066700     -0.1387000    
 C   0.9982000       2.961800     -0.3640000    
 C   -4.330300     -0.4690000      0.1333000    
 C   -4.821400      4.6599999E-02  -1.213200    
 C   -5.117400      0.1497000       1.281800    
 H    3.930700     -0.9500000     -3.8400002E-02
 H   0.8676000      6.8099998E-02   2.000700    
 H    1.664100      -1.467800       2.160300    
 H   0.3758000      -1.488400      -1.322400    
 H   0.3550000      -2.304500      0.2528000    
 H    1.511800      0.6937000      -1.589000    
 H    2.871800       1.131900     -0.5305000    
 H    4.061100      -3.397400     -6.8099998E-02
 H    3.204000      -2.852700       1.366000    
 H    2.301000      -3.534100     -1.3000000E-03
 H    4.064600      -2.180800      -2.137300    
 H    3.185400     -0.6781000      -2.373900    
 H    2.305800      -2.216700      -2.285400    
 H    3.888900     -0.3372000       2.138500    
 H    3.095300       1.232600       1.897700    
 H    2.825400      0.3173000       3.382200    
 H   -2.631100      0.6811000      0.6903000    
 H   -4.476600      -1.555700      0.1586000    
 H   -5.886700     -0.1667000      -1.349300    
 H   -4.275100     -0.4257000      -2.036900    
 H   -4.675800       1.129200      -1.300600    
 H   -6.185100     -7.5199999E-02   1.191000    
 H   -4.769300     -0.2402000       2.244600    
 H   -4.998400       1.238700       1.305000    
 H  -0.3262000       3.413100       1.187200    
 H   3.9900001E-02   4.747200      0.1452000    


%chk=000117223-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117223

0 1
O -0.549507 -0.454370 0.253656
O 1.183227 1.795421 0.313952
O -2.102171 -2.090989 -0.449249
O -0.170909 2.203445 -1.582194
N -2.761906 0.027794 0.342274
N -0.725317 3.002677 0.553303
C 1.889723 -0.629889 0.190313
C 3.107254 -1.465914 -0.383367
C 1.937418 -0.547607 1.751717
C 0.562188 -1.304976 -0.228312
C 1.991427 0.796793 -0.428811
C 3.205257 -2.899765 0.196573
C 3.157777 -1.538391 -1.934228
C 3.216996 0.066081 2.360231
C -1.850897 -0.941167 0.000369
C 0.068054 2.317835 -0.355993
C -4.216369 -0.164757 0.154739
C -4.628992 0.057144 -1.320306
C -4.976118 0.768131 1.118578
H 4.018650 -0.921051 -0.058815
H 1.065871 0.048046 2.073965
H 1.783789 -1.564900 2.162474
H 0.472497 -1.396588 -1.326084
H 0.456725 -2.310357 0.217173
H 1.658324 0.811624 -1.481255
H 3.029769 1.167035 -0.366611
H 4.123364 -3.389404 -0.177795
H 3.251506 -2.904975 1.299334
H 2.350003 -3.527994 -0.113593
H 4.083945 -2.053306 -2.250323
H 3.157680 -0.542432 -2.411540
H 2.308687 -2.113530 -2.347130
H 4.123347 -0.522918 2.127324
H 3.377909 1.099557 2.003739
H 3.128640 0.108571 3.461588
H -2.393380 0.950626 0.590748
H -4.429139 -1.218009 0.417315
H -5.709353 -0.137323 -1.453392
H -4.069801 -0.629175 -1.978832
H -4.419285 1.096186 -1.635820
H -6.064623 0.612622 1.020715
H -4.689698 0.576678 2.168101
H -4.769528 1.831363 0.885636
H -0.416103 3.090516 1.519558
H -1.443129 3.623539 0.187474


