%chk=000161544.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161544

0 1
 O    1.370400      4.8400000E-02   1.610500    
 O   -3.063300      -2.251300      0.4812000    
 N    2.098000      0.2678000      0.4728000    
 N   -1.474300     -0.6432000     -0.1125000    
 C    1.280300      0.1045000     -0.8223000    
 C   0.1339000       1.121100     -0.9569000    
 C   0.7629000      -1.320500      -1.039800    
 C   -1.094000      0.7896000     -6.1999999E-02
 C   0.6862000       2.548800     -0.7843000    
 C    2.644100       1.678800      0.5294000    
 C  -0.4130000      -1.654600     -0.1244000    
 C    3.249100     -0.7175000      0.4454000    
 C    1.900400      -2.345300     -0.9274000    
 C    1.526100       2.712800      0.4777000    
 C    2.756200      -2.154500      0.3215000    
 C   -2.279700       1.693900     -0.4493000    
 C   -2.744700      -1.077000      0.2897000    
 C   -3.564100       1.231800      0.1434000    
 C   -3.774500     -3.3399999E-02  0.5073000    
 H    2.014900      0.3183000      -1.613400    
 H  -0.2166000       1.049200      -1.997900    
 H   0.3813000      -1.376800      -2.069700    
 H  -0.8571000      0.9871000      0.9905000    
 H  -0.1119000       3.296500     -0.7985000    
 H    1.321200       2.778900      -1.650800    
 H    3.330700       1.791300     -0.3175000    
 H    3.208500       1.758500       1.465300    
 H  -0.8439000      -2.613700     -0.4382000    
 H  -0.1012000      -1.798000      0.9153000    
 H    3.804800     -0.5741000       1.378900    
 H    3.887300     -0.4413000     -0.4016000    
 H    2.547700      -2.245300      -1.808700    
 H    1.501000      -3.365900     -0.9518000    
 H    1.961500       3.718200      0.4980000    
 H   0.8855000       2.627500       1.362700    
 H    2.179500      -2.433900       1.210500    
 H    3.616800      -2.831800      0.2801000    
 H   -2.403600       1.739700      -1.538000    
 H   -2.091500       2.715000     -9.9900000E-02
 H   -4.360100       1.960100      0.2673000    
 H   -4.727600     -0.3434000      0.9213000    


%chk=000161544-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161544

0 1
O 1.366044 0.086763 1.632649
O -3.079751 -2.347228 0.115050
N 2.122620 0.281465 0.431975
N -1.491603 -0.642721 -0.138322
C 1.263549 0.091431 -0.860566
C 0.103644 1.113109 -0.929841
C 0.746656 -1.357597 -1.003188
C -1.088395 0.791150 0.030567
C 0.657497 2.557196 -0.790594
C 2.697661 1.709425 0.438572
C -0.406988 -1.650731 -0.025010
C 3.294413 -0.717753 0.402009
C 1.893769 -2.391921 -0.880710
C 1.552406 2.725911 0.457056
C 2.760969 -2.152728 0.376100
C -2.262177 1.756193 -0.280202
C -2.792726 -1.102291 0.086510
C -3.613774 1.249320 0.165769
C -3.849424 -0.079139 0.308010
H 1.967499 0.308678 -1.693493
H -0.308330 1.000939 -1.956812
H 0.327523 -1.419899 -2.029579
H -0.737993 0.919772 1.073860
H -0.164071 3.294537 -0.779075
H 1.261102 2.782013 -1.695036
H 3.343072 1.839351 -0.453838
H 3.307210 1.769781 1.354684
H -0.860838 -2.630717 -0.244786
H -0.019412 -1.641178 1.010388
H 3.866278 -0.514638 1.322052
H 3.920496 -0.499282 -0.486932
H 2.537383 -2.329234 -1.783106
H 1.469600 -3.413544 -0.862883
H 1.980240 3.745560 0.490236
H 0.977476 2.566496 1.386038
H 2.175628 -2.311760 1.298306
H 3.618243 -2.851677 0.394918
H -2.307933 1.951495 -1.375426
H -2.055442 2.731498 0.196598
H -4.416378 1.982328 0.320305
H -4.828543 -0.484074 0.581648


