%chk=000178546.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178546

0 1
 O   -5.964100       1.644100      -1.488100    
 O    6.642700      0.3920000     -0.1679000    
 O  -2.6200000E-02  -1.831300     -0.3397000    
 O   0.6438000      -2.724200       1.694600    
 O  -0.1867000      -4.407200     -0.2843000    
 N   -1.419000      -3.741400     -0.3182000    
 C   -5.256600       2.727600      0.5774000    
 C    5.519600       2.553300     -0.2531000    
 C   -5.184400       1.664600     -0.5363000    
 C    5.569700       1.009600     -0.1026000    
 C   -3.924300       3.487200      0.6248000    
 C   -5.455100       1.985600       1.913700    
 C   -6.419700       3.716800      0.4104000    
 C    6.897000       3.175600     -0.5265000    
 C    4.604800       2.885900      -1.448200    
 C    4.913300       3.159200       1.019500    
 C   -4.165400      0.5998000     -0.4904000    
 C    4.357400      0.2338000      0.1035000    
 C   -4.459500     -0.5912000      0.1515000    
 C   -2.935700      0.8137000      -1.089900    
 C    3.650100     -0.2591000     -0.9930000    
 C    3.901700     -1.7400000E-02   1.397700    
 C   -2.251300      -1.399500     -0.4036000    
 C   -3.495300      -1.598200      0.1953000    
 C   -1.971500     -0.1934000      -1.046200    
 C    2.057200      -1.237600      0.4945000    
 C    2.486800      -1.003100     -0.7953000    
 C    2.738600     -0.7615000       1.595300    
 C   -1.246500      -2.449600     -0.3592000    
 C   0.8193000      -2.031100      0.7052000    
 C  -0.4405000      -5.802900     -0.2407000    
 H   -3.084900       2.842200      0.9051000    
 H   -3.961800       4.298600       1.360900    
 H   -3.691800       3.932700     -0.3492000    
 H   -4.589800       1.370400       2.182500    
 H   -5.602700       2.695500       2.736300    
 H   -6.334700       1.332400       1.878300    
 H   -6.325800       4.270600     -0.5306000    
 H   -6.452700       4.444900       1.228200    
 H   -7.381600       3.192300      0.3829000    
 H    7.343200       2.761100      -1.437700    
 H    6.832900       4.262800     -0.6446000    
 H    7.588600       2.966900      0.2976000    
 H    4.943500       2.378300      -2.358700    
 H    4.598800       3.963500      -1.649800    
 H    3.565300       2.591300      -1.268600    
 H    5.480700       2.855800       1.906700    
 H    4.922700       4.254400      0.9763000    
 H    3.872500       2.853500       1.170200    
 H   -5.427500     -0.7590000      0.6147000    
 H   -2.712400       1.745700      -1.601200    
 H    3.999400     -7.8699999E-02  -2.006300    
 H    4.446000      0.3572000       2.260700    
 H   -3.729500      -2.531200      0.7015000    
 H   -1.021200     -1.0300000E-02  -1.541200    
 H    1.964700      -1.388700      -1.665800    
 H    2.392700     -0.9483000       2.607500    
 H  -0.9896000      -6.118200      -1.133400    
 H   0.5176000      -6.328400     -0.2140000    
 H   -1.006700      -6.058600      0.6604000    


%chk=000178546-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178546

0 1
O -7.432017 0.131563 0.120576
O 5.900802 1.569874 -2.282905
O -0.122942 -1.119839 -0.192521
O 0.705877 -1.636807 1.943887
O 0.075586 -3.753483 -0.097009
N -1.265265 -3.237054 -0.005878
C -6.627876 2.434063 0.238326
C 6.912326 2.068094 -0.115982
C -6.417169 0.892879 0.148036
C 5.793370 1.479693 -1.023577
C -6.104596 3.128454 -1.057829
C -5.938881 3.014455 1.511250
C -8.149377 2.716963 0.347509
C 7.885850 2.884598 -1.006353
C 6.321274 3.021600 0.964652
C 7.724022 0.906084 0.540571
C -5.046422 0.246458 0.096452
C 4.546504 0.805468 -0.471928
C -5.015567 -1.180561 0.112474
C -3.803415 0.933694 0.030722
C 3.477450 0.607810 -1.392426
C 4.378569 0.345358 0.864469
C -2.568981 -1.189626 0.009034
C -3.808615 -1.889591 0.069683
C -2.584693 0.229378 -0.013766
C 2.127646 -0.468389 0.335938
C 2.280640 -0.014191 -0.999921
C 3.187200 -0.289314 1.261063
C -1.290810 -1.919526 -0.029428
C 0.891989 -1.143762 0.816631
C 0.016658 -5.222889 0.027840
H -5.020359 3.010574 -1.215651
H -6.323808 4.210956 -1.000502
H -6.620801 2.725453 -1.948238
H -4.845709 2.877820 1.523333
H -6.147359 4.098803 1.571460
H -6.346629 2.540833 2.422985
H -8.692654 2.329920 -0.530964
H -8.315883 3.807856 0.419115
H -8.582889 2.231911 1.238697
H 7.363423 3.714343 -1.513439
H 8.692632 3.305528 -0.378341
H 8.335552 2.253557 -1.790639
H 5.761301 3.849679 0.492473
H 7.150710 3.464518 1.546176
H 5.643007 2.517475 1.671554
H 8.147501 0.241584 -0.234003
H 8.564273 1.337498 1.115579
H 7.127955 0.285982 1.230241
H -5.974212 -1.706575 0.159168
H -3.765771 2.024059 0.007526
H 3.622161 0.950404 -2.421561
H 5.175340 0.459068 1.601637
H -3.801162 -2.983205 0.086416
H -1.638403 0.774823 -0.070224
H 1.465813 -0.161663 -1.713306
H 3.058589 -0.655446 2.284828
H -0.612860 -5.652274 -0.770439
H 1.062563 -5.548539 -0.083459
H -0.375358 -5.507600 1.018886


