%chk=000178058.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178058

0 1
 O    4.299500     -0.5977000     -0.5056000    
 O   -6.629300     -5.0999999E-02  0.7079000    
 O    5.849000      0.2489000      0.9776000    
 N   -7.007300      -1.381400      0.5750000    
 N    7.896100     -0.9170000     -0.3897000    
 C    1.076500       1.008000      0.2160000    
 C    1.862200     -0.1315000     -0.4706000    
 C  -0.3428000       1.182400     -0.3409000    
 C   -1.130900     -0.1500000     -0.1442000    
 C   -2.625700     -6.6600002E-02 -0.6396000    
 C    1.104100      -1.448700     -0.2218000    
 C    3.251700      2.6300000E-02  0.2222000    
 C  -0.3537000      -1.370400     -0.7115000    
 C    2.038500       2.192800      0.1543000    
 C   -1.073800       2.337200      0.3567000    
 C    3.443900       1.566400      0.2734000    
 C    2.016400      6.3299999E-02  -2.007600    
 C   -3.288400       1.227900     -7.8800000E-02
 C   -2.487300       2.502900     -0.1841000    
 C   -3.366800      -1.389000     -0.1855000    
 C   -2.719300      1.6700000E-02  -2.183300    
 C    3.286600     -0.5226000       1.592600    
 C   -4.540200       1.272700      0.4248000    
 C   -4.798500      -1.163900      0.1212000    
 C   -5.297900      8.2800001E-02  0.4271000    
 C    5.567200     -0.4059000     -1.6700000E-02
 C   -5.894400      -2.031400      0.2259000    
 C    3.315000     -0.9693000       2.706500    
 C    6.549600      -1.132200     -0.9013000    
 H   0.9585000      0.7642000       1.284000    
 H  -0.2855000       1.423800      -1.407900    
 H   -1.178500     -0.3106000      0.9454000    
 H    1.075300      -1.690800      0.8468000    
 H    1.614600      -2.284500     -0.7152000    
 H  -0.3624000      -1.354000      -1.805400    
 H  -0.8526000      -2.301500     -0.4197000    
 H    1.854700       2.906600      0.9640000    
 H    1.944600       2.736800     -0.7923000    
 H  -0.5291000       3.276200      0.2043000    
 H   -1.109800       2.163100       1.439900    
 H    4.070600       1.926600     -0.5517000    
 H    3.916500       1.906500       1.202900    
 H    2.583900      0.9648000      -2.259000    
 H    2.552600     -0.7856000      -2.448000    
 H    1.060100      0.1392000      -2.530400    
 H   -2.443900       2.811500      -1.235700    
 H   -2.975100       3.323100      0.3570000    
 H   -2.907400      -1.777000      0.7337000    
 H   -3.262600      -2.175500     -0.9428000    
 H   -2.143400      0.8531000      -2.591400    
 H   -2.353100     -0.8962000      -2.663900    
 H   -3.758300      0.1494000      -2.509200    
 H   -4.991600       2.193900      0.7750000    
 H   -5.935400      -3.099900      7.4100003E-02
 H    3.339800      -1.365500       3.694500    
 H    6.477300     -0.7420000      -1.920300    
 H    6.320500      -2.201500     -0.8960000    
 H    7.959300      -1.250500      0.5714000    
 H    8.101700      8.0899999E-02 -0.3634000    


%chk=000178058-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178058

0 1
O 4.309490 -0.591765 -0.435884
O -6.779107 -0.140230 0.354038
O 6.081449 0.322289 0.802584
N -7.124164 -1.574698 0.189399
N 7.964258 -1.243632 -0.779646
C 1.065723 1.101848 0.285723
C 1.876366 -0.052291 -0.381515
C -0.361477 1.248511 -0.277900
C -1.125147 -0.101356 -0.080832
C -2.626280 -0.068033 -0.583508
C 1.136292 -1.383519 -0.125468
C 3.256121 0.145639 0.360001
C -0.325595 -1.312834 -0.645659
C 2.023076 2.323077 0.229294
C -1.124117 2.394462 0.422122
C 3.458237 1.707729 0.343883
C 2.094022 0.162126 -1.903530
C -3.335344 1.212746 -0.060418
C -2.562237 2.517574 -0.125577
C -3.323746 -1.392163 -0.083199
C -2.730124 -0.005994 -2.142575
C 3.257626 -0.390131 1.733395
C -4.661346 1.216739 0.298763
C -4.822187 -1.266879 -0.009352
C -5.395396 -0.024406 0.227220
C 5.656697 -0.442499 -0.088211
C -5.922915 -2.178104 -0.016800
C 3.255209 -0.828378 2.884552
C 6.522717 -1.368401 -0.971599
H 0.953143 0.822757 1.357538
H -0.300485 1.487944 -1.360900
H -1.184441 -0.244419 1.023785
H 1.126795 -1.592955 0.962019
H 1.663732 -2.225746 -0.613958
H -0.319641 -1.278593 -1.751633
H -0.833818 -2.255133 -0.368172
H 1.823159 3.039472 1.044283
H 1.902542 2.869964 -0.725274
H -0.593032 3.354232 0.275168
H -1.152207 2.201461 1.514377
H 4.082678 1.975562 -0.526756
H 3.996818 2.039829 1.243245
H 2.608035 1.112539 -2.127072
H 2.710016 -0.655143 -2.313558
H 1.132977 0.170385 -2.443793
H -2.496298 2.843770 -1.186452
H -3.120603 3.308949 0.408108
H -2.935281 -1.641369 0.927983
H -3.029654 -2.225167 -0.746554
H -2.235037 0.890451 -2.555627
H -2.268354 -0.895700 -2.606500
H -3.791184 0.019556 -2.449370
H -5.170519 2.138957 0.597338
H -5.918378 -3.259224 -0.161344
H 3.273848 -1.199375 3.892739
H 6.259809 -1.174573 -2.027797
H 6.203347 -2.408047 -0.769667
H 8.274964 -1.492431 0.164843
H 8.340268 -0.331078 -1.055597


