%chk=000068863.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068863

0 1
 O   0.6863000     -0.8653000       1.308400    
 O    2.242100      0.6306000       3.063100    
 N    3.340900      0.6256000     -0.4729000    
 C   -2.681300      0.9099000     -0.9353000    
 C   -3.215100       1.414000       1.168300    
 C   -1.454500      0.3817000     -0.1398000    
 C   -3.851800      0.6436000      1.4800000E-02
 C   -1.869600      0.6828000       1.323600    
 C   -2.637500       2.451900     -0.9216000    
 C   -2.972000       2.794200      0.5371000    
 C   -1.054100      -1.068300     -0.3274000    
 C  -3.1999999E-03  -1.618900      0.4067000    
 C   -1.749100      -1.854900      -1.246400    
 C   0.3523000      -2.955000      0.2220000    
 C   -1.393600      -3.191000      -1.431300    
 C  -0.3429000      -3.741100     -0.6971000    
 C    2.055500      -1.202500       1.522200    
 C    2.825000      6.5700002E-02   1.885100    
 C    2.798800       1.127000      0.7827000    
 C    3.252400       1.635800      -1.518600    
 C    1.797800       2.040100      -1.741800    
 C    3.873700       1.094000      -2.802000    
 H   -2.795100      0.5402000      -1.954700    
 H   -3.799400       1.451300       2.089900    
 H  -0.5768000      0.9823000     -0.4024000    
 H   -4.794200       1.084000     -0.3282000    
 H   -4.005000     -0.4173000      0.2359000    
 H   -1.125100       1.300500       1.837700    
 H   -2.018900     -0.2307000       1.912000    
 H   -1.665700       2.851900      -1.227700    
 H   -3.400800       2.867600      -1.589600    
 H   -3.877600       3.409500      0.5807000    
 H   -2.161600       3.342900       1.027400    
 H   -2.580800      -1.486700      -1.834500    
 H    1.140100      -3.434500      0.7951000    
 H   -1.937400      -3.805100      -2.143200    
 H  -7.1999997E-02  -4.783800     -0.8353000    
 H    2.099200      -1.905300       2.362700    
 H    2.523000      -1.660900      0.6423000    
 H    3.861600     -0.1950000       2.126900    
 H    1.759900       1.457300      0.6900000    
 H    3.366400       2.002500       1.124100    
 H    4.311400      0.3431000     -0.3398000    
 H    3.825000       2.525400      -1.226100    
 H    1.305000      0.8099000       2.874100    
 H    1.713900       2.652200      -2.647900    
 H    1.156800       1.164800      -1.890700    
 H    1.392300       2.652400     -0.9312000    
 H    4.924000      0.8223000      -2.647700    
 H    3.841100       1.847200      -3.596700    
 H    3.343000      0.2046000      -3.160400    


%chk=000068863-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068863

0 1
O 0.689573 -0.637084 0.605954
O 1.857394 0.589055 2.804123
N 3.904193 0.993495 -0.350018
C -3.130320 0.911157 -0.677135
C -3.412855 1.410259 1.532639
C -1.808830 0.373419 -0.037676
C -4.191103 0.633706 0.431190
C -2.038303 0.680525 1.506168
C -3.070221 2.468503 -0.650868
C -3.243986 2.813431 0.876153
C -1.475064 -1.089760 -0.314850
C -0.177207 -1.582129 0.021885
C -2.380740 -2.004358 -0.899909
C 0.196286 -2.922987 -0.225772
C -2.027957 -3.352901 -1.147260
C -0.737237 -3.809144 -0.810487
C 2.057100 -1.057808 0.976545
C 2.679456 0.166015 1.659860
C 2.896323 1.341741 0.675914
C 3.822215 1.731367 -1.642972
C 2.658254 1.188856 -2.501805
C 5.166711 1.580835 -2.383401
H -3.342438 0.503112 -1.678961
H -3.879731 1.435236 2.531480
H -0.954021 0.977442 -0.398334
H -5.178529 1.074900 0.203001
H -4.319018 -0.436953 0.669349
H -1.229777 1.306316 1.928000
H -2.079887 -0.259548 2.085810
H -2.121694 2.852475 -1.068890
H -3.894499 2.896943 -1.250251
H -4.138449 3.440094 1.046940
H -2.374593 3.354870 1.291398
H -3.381900 -1.658056 -1.175092
H 1.198779 -3.281638 0.024727
H -2.754733 -4.034751 -1.601525
H -0.448657 -4.848917 -1.000584
H 2.002391 -1.909219 1.682255
H 2.636181 -1.325960 0.072814
H 3.649253 -0.131205 2.100571
H 1.936524 1.555101 0.172629
H 3.160104 2.240696 1.277755
H 4.857978 1.031529 0.035338
H 3.645207 2.822165 -1.466639
H 0.913501 0.595754 2.491943
H 2.551560 1.780839 -3.429836
H 2.848825 0.134081 -2.770521
H 1.695585 1.230191 -1.960769
H 5.999351 2.023516 -1.802946
H 5.131876 2.086594 -3.364336
H 5.389530 0.510698 -2.551108


