%chk=000178581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178581

0 1
 O   0.1232000      -1.568200      0.2127000    
 N   -6.426500     -0.8658000      -1.589300    
 N   -6.739000      0.9339000     -0.2510000    
 N   -6.724600      0.2614000      -2.250700    
 N   -6.918600       1.353000      -1.497700    
 N    1.217500      0.4776000      0.1792000    
 C   -6.179000      -1.233200      0.8313000    
 C   -4.777700      -1.919800      0.7338000    
 C   -3.587700     -0.9584000      0.5924000    
 C   -6.259900     -0.4673000       2.174700    
 C   -7.251700      -2.352000      0.9137000    
 C   -2.271300      -1.731600      0.4493000    
 C   -6.460600     -0.3508000     -0.4010000    
 C   -1.068100     -0.8039000      0.3316000    
 C    1.301100     -0.8707000      0.1352000    
 C    2.490000      -1.571900      1.8200001E-02
 C    3.670600     -0.8414000     -5.8600001E-02
 C    2.385700       1.153600      0.1017000    
 C    3.626200      0.5478000     -1.6899999E-02
 C    4.940100      -1.523800     -0.1813000    
 C    2.262900       2.591200      0.1509000    
 C    5.454400      -1.819400      -1.444100    
 C    5.651300      -1.886300      0.9630000    
 C    2.104300       3.321600      -1.028800    
 C    2.301600       3.256400       1.378300    
 C    6.678600      -2.477200      -1.562600    
 C    6.875700      -2.544000      0.8444000    
 C    1.985300       4.710600     -0.9814000    
 C    2.182500       4.645400       1.425700    
 C    7.389300      -2.839400     -0.4185000    
 C    2.024300       5.372400      0.2457000    
 H   -4.771600      -2.601700     -0.1278000    
 H   -4.619900      -2.551100       1.618700    
 H   -3.524600     -0.3075000       1.471000    
 H   -3.718000     -0.3134000     -0.2834000    
 H   -6.018900      -1.116500       3.023900    
 H   -5.572800      0.3853000       2.195600    
 H   -7.267600     -6.6000000E-02   2.336900    
 H   -8.260500      -1.927200      0.9782000    
 H   -7.226100      -2.999300      2.9200001E-02
 H   -7.097200      -2.989000       1.792200    
 H   -2.310600      -2.385100     -0.4311000    
 H   -2.129400      -2.397300       1.310000    
 H   -1.017900     -0.1713000       1.227100    
 H   -1.189200     -0.1661000     -0.5530000    
 H   -6.799400      0.2869000      -3.262000    
 H    2.490200      -2.657300     -1.1600000E-02
 H    4.535600       1.139700     -7.5400002E-02
 H    4.913400      -1.544000      -2.346500    
 H    5.265400      -1.663500       1.955100    
 H    2.071100       2.821300      -1.993800    
 H    2.423700       2.704600       2.307600    
 H    7.078700      -2.707300      -2.545800    
 H    7.429400      -2.826100       1.735200    
 H    1.861900       5.276900      -1.899900    
 H    2.212700       5.160900       2.381100    
 H    8.342600      -3.351500     -0.5108000    
 H    1.931500       6.453900      0.2827000    


%chk=000178581-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178581

0 1
O 0.106083 -1.464787 0.239471
N -5.992200 -0.495951 -1.503578
N -7.747530 0.346276 -0.286230
N -6.763988 0.384875 -2.215231
N -7.835435 0.917461 -1.511856
N 1.283770 0.587280 0.238819
C -6.249010 -1.369161 0.893313
C -4.819698 -1.965269 0.711282
C -3.646741 -0.959918 0.716413
C -6.363230 -0.532249 2.198109
C -7.274295 -2.545132 0.960573
C -2.293153 -1.668292 0.474207
C -6.632605 -0.503942 -0.291194
C -1.132679 -0.672774 0.459666
C 1.299130 -0.758577 0.139019
C 2.471703 -1.530791 -0.061016
C 3.706205 -0.852590 -0.162459
C 2.479751 1.263584 0.131025
C 3.695961 0.569149 -0.064175
C 4.981669 -1.600228 -0.359133
C 2.407202 2.751545 0.236541
C 5.012431 -2.801241 -1.119439
C 6.197013 -1.131943 0.211427
C 3.508233 3.589546 -0.091803
C 1.200764 3.363396 0.674627
C 6.218038 -3.510535 -1.304005
C 7.403322 -1.840800 0.028514
C 3.408306 4.992059 0.024616
C 1.101142 4.764504 0.793312
C 7.420013 -3.033760 -0.730887
C 2.205581 5.587906 0.470703
H -4.794015 -2.535314 -0.238593
H -4.666431 -2.700832 1.527514
H -3.609296 -0.422979 1.684969
H -3.808304 -0.198588 -0.071218
H -6.079776 -1.157649 3.064561
H -5.704545 0.353096 2.178592
H -7.397679 -0.176475 2.339907
H -8.306437 -2.161446 1.041437
H -7.207445 -3.183546 0.060652
H -7.062736 -3.171658 1.846335
H -2.319303 -2.208264 -0.491878
H -2.113270 -2.425088 1.262520
H -1.041147 -0.124667 1.416983
H -1.232995 0.072803 -0.351335
H -6.562711 0.639619 -3.181498
H 2.397778 -2.620198 -0.093823
H 4.635460 1.118901 -0.154684
H 4.093102 -3.165071 -1.591949
H 6.191519 -0.226495 0.828729
H 4.445088 3.157300 -0.458720
H 0.354601 2.712938 0.914017
H 6.221922 -4.429190 -1.901127
H 8.326994 -1.468533 0.485399
H 4.266517 5.620686 -0.238403
H 0.163627 5.216109 1.137048
H 8.356351 -3.584298 -0.873885
H 2.129775 6.677299 0.561121


