%chk=000105341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105341

0 1
 O    4.311200      -2.435800     -0.3687000    
 O    4.762700       2.326500      0.3222000    
 O    6.432000      -2.678000      0.5078000    
 O    6.804400       2.190700     -0.7445000    
 O   -9.200100      0.6645000     -0.9134000    
 O   -9.206500     -0.4147000      0.9983000    
 N    3.096800      7.0400000E-02  5.6000002E-02
 N   -2.474500      0.5617000      0.3108000    
 N   -3.017800     -0.4213000     -0.2458000    
 N   -8.598200      7.1699999E-02  1.4500000E-02
 C    3.822500     -0.6080000       1.111300    
 C    3.830200      0.6079000      -1.072800    
 C    1.693200      0.1942000      0.1198000    
 C    3.760000      -2.111400      0.9015000    
 C    4.049800       2.099600     -0.8872000    
 C   0.9948000     -0.3382000       1.203600    
 C    1.003400      0.8489000     -0.9007000    
 C  -0.3933000     -0.2157000       1.266900    
 C  -0.3847000      0.9715000     -0.8372000    
 C   -1.082900      0.4392000      0.2464000    
 C    5.661400      -2.700100     -0.4422000    
 C    6.139300       2.350600      0.2698000    
 C    6.066000      -3.024900      -1.847700    
 C    6.720900       2.604000       1.627200    
 C   -4.416200     -0.2978000     -0.1807000    
 C   -5.099800      0.3567000      -1.200400    
 C   -5.106700     -0.8308000      0.9035000    
 C   -7.185300     -5.2900001E-02 -5.1199999E-02
 C   -6.487800      0.4795000      -1.135600    
 C   -6.494700     -0.7081000      0.9684000    
 H    4.875900     -0.3020000       1.081900    
 H    3.482600     -0.3197000       2.111900    
 H    4.812900      0.1236000      -1.132500    
 H    3.354300      0.3805000      -2.033000    
 H    4.290800      -2.634100       1.705800    
 H    2.733900      -2.490100      0.9094000    
 H    4.588100       2.518300      -1.745600    
 H    3.109800       2.653100     -0.8107000    
 H    1.469300     -0.8565000       2.029200    
 H    1.484400       1.282100      -1.770400    
 H  -0.9294000     -0.6326000       2.115700    
 H  -0.9141000       1.483600      -1.636700    
 H    7.142500      -3.215300      -1.881300    
 H    5.540900      -3.921800      -2.185100    
 H    5.841300      -2.178200      -2.501100    
 H    6.412900       1.811700       2.314000    
 H    7.812500       2.603300       1.560800    
 H    6.392600       3.580000       1.993000    
 H   -4.564000      0.7736000      -2.049000    
 H   -4.576000      -1.343400       1.701400    
 H   -6.992400      0.9961000      -1.948000    
 H   -7.004700      -1.135400       1.828100    


%chk=000105341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105341

0 1
O 4.979024 -1.921439 -1.255728
O 5.202891 1.742452 1.213073
O 6.613989 -2.040520 0.401935
O 6.882654 1.621192 -0.399418
O -9.869210 -0.863709 0.444772
O -9.668489 1.232249 -0.438844
N 2.901523 0.064087 -0.052781
N -2.753387 0.559493 -0.193600
N -3.488620 -0.450992 0.232840
N -9.160846 0.133715 0.021270
C 3.592379 -1.037336 0.647590
C 3.759913 1.056498 -0.729827
C 1.509583 0.164237 -0.075198
C 3.947017 -2.255043 -0.228983
C 4.255611 2.214676 0.158776
C 0.676393 -0.922456 0.373780
C 0.850752 1.349645 -0.548632
C -0.715428 -0.828584 0.352566
C -0.545390 1.433995 -0.571138
C -1.360040 0.355672 -0.122545
C 6.306207 -1.845064 -0.798683
C 6.517772 1.477228 0.792533
C 7.247078 -1.464023 -1.914005
C 7.365517 0.972688 1.933286
C -4.893595 -0.218247 0.144809
C -5.715834 -1.288734 0.597406
C -5.499029 0.976888 -0.351043
C -7.690460 0.011556 0.065035
C -7.115568 -1.181776 0.560930
C -6.894997 1.092699 -0.391535
H 4.514919 -0.640663 1.100002
H 2.969278 -1.386914 1.489311
H 4.631654 0.534772 -1.154990
H 3.216404 1.486960 -1.589148
H 4.335648 -3.067193 0.412419
H 3.089396 -2.604556 -0.824176
H 4.771064 2.963780 -0.469786
H 3.439543 2.680780 0.731967
H 1.129267 -1.856533 0.718102
H 1.430402 2.216022 -0.877735
H -1.340238 -1.662704 0.686420
H -1.044640 2.341896 -0.925702
H 8.199044 -2.005838 -1.796309
H 6.805728 -1.670899 -2.899819
H 7.463314 -0.381505 -1.835036
H 7.434486 -0.129325 1.857744
H 8.385520 1.379277 1.843991
H 6.928535 1.239114 2.906638
H -5.225345 -2.192213 0.972357
H -4.850186 1.787458 -0.693900
H -7.767795 -1.989275 0.902563
H -7.389208 1.993213 -0.765856


