%chk=000178090.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178090

0 1
 O    1.833300      0.5222000     -0.6116000    
 O  -0.5139000      0.7146000     -0.6605000    
 N    1.580700      -3.606600      0.1332000    
 C   0.6007000      8.7499999E-02 -1.0900000E-02
 C   0.5081000      -1.431400     -0.2253000    
 C    4.153900       3.500200     -0.3234000    
 C    3.570200       2.159700     -0.7982000    
 C    1.714800      -2.171000      0.3536000    
 C    2.264600       1.780500     -0.1095000    
 C    2.728300      -4.323400      0.6707000    
 C    4.439200       3.439900       1.179100    
 C    5.429700       3.879500      -1.076500    
 C   -1.647400      0.9625000      5.9999999E-02
 C    2.343000      -5.776100      0.9315000    
 C    3.907300      -4.233800     -0.2941000    
 C   -2.882500      0.4021000     -0.3048000    
 C   -4.029400      0.6894000      0.4730000    
 C   -1.544700       1.794400       1.175300    
 C   -3.004500     -0.4371000      -1.424300    
 C   -3.907500       1.528500       1.592700    
 C   -2.672500       2.076600       1.940400    
 C   -5.264400      0.1291000      0.1085000    
 C   -4.239600     -0.9849000      -1.771900    
 C   -5.367500     -0.7024000      -1.007000    
 H   0.6264000      0.2914000       1.067400    
 H  -0.4222000      -1.806300      0.2196000    
 H   0.4393000      -1.637000      -1.302200    
 H    3.413000       4.289800     -0.5018000    
 H    4.302300       1.354500     -0.6509000    
 H    3.398200       2.198400      -1.881700    
 H    2.625100      -1.794500     -0.1229000    
 H    1.783400      -1.955100       1.426900    
 H    2.406100       1.687000      0.9713000    
 H    1.500000       2.540200     -0.3064000    
 H    3.028600      -3.901200       1.638600    
 H   0.7252000      -3.927100      0.5871000    
 H    4.962400       4.344700       1.508500    
 H    3.517500       3.382400       1.765500    
 H    5.067700       2.579700       1.434100    
 H    5.236900       3.945100      -2.152400    
 H    5.806500       4.852400     -0.7437000    
 H    6.218700       3.136300     -0.9187000    
 H    2.028200      -6.280300      1.0700000E-02
 H    1.521200      -5.844600       1.653200    
 H    3.191000      -6.333400       1.344400    
 H    3.640800      -4.610400      -1.288300    
 H    4.273900      -3.209000     -0.4067000    
 H    4.747200      -4.835300      7.1699999E-02
 H  -0.5955000       2.244900       1.452600    
 H   -2.143600     -0.6775000      -2.044100    
 H   -4.776000       1.763600       2.204500    
 H   -2.592700       2.727200       2.806500    
 H   -6.159200      0.3362000      0.6920000    
 H   -4.320600      -1.632200      -2.640300    
 H   -6.328700      -1.129400      -1.278300    


%chk=000178090-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178090

0 1
O 1.731415 0.015912 -0.294564
O -0.662974 -0.246618 -0.277946
N 2.125603 -4.214128 0.302341
C 0.631314 -0.673460 0.321224
C 0.779751 -2.160500 0.004226
C 3.314720 3.502379 -0.538505
C 3.121214 1.966021 -0.646830
C 2.078480 -2.762513 0.575578
C 1.852329 1.453318 0.040006
C 3.328223 -4.936276 0.798293
C 3.467170 3.974906 0.928598
C 4.538395 3.940492 -1.377823
C -1.556352 0.604795 0.398826
C 3.058456 -6.452611 0.715319
C 4.574636 -4.555635 -0.031247
C -2.827656 0.768555 -0.269039
C -3.827116 1.622962 0.336007
C -1.298222 1.264536 1.608016
C -3.119223 0.113011 -1.508613
C -3.539721 2.280387 1.578806
C -2.301183 2.099548 2.192720
C -5.086670 1.785629 -0.330776
C -4.357436 0.292710 -2.131934
C -5.349372 1.136015 -1.539183
H 0.604458 -0.477426 1.415673
H -0.103935 -2.685417 0.416929
H 0.762993 -2.291989 -1.091568
H 2.413029 3.991181 -0.966351
H 4.003691 1.449400 -0.219206
H 3.066257 1.677131 -1.714264
H 2.936985 -2.271975 0.086485
H 2.152261 -2.527420 1.671292
H 1.909077 1.566174 1.143980
H 0.958103 1.995537 -0.327672
H 3.536075 -4.677056 1.869851
H 1.265350 -4.676175 0.632932
H 3.666538 5.061693 0.971924
H 2.558154 3.781206 1.527336
H 4.315117 3.456406 1.417271
H 4.428978 3.638382 -2.435971
H 4.670446 5.037862 -1.347820
H 5.465770 3.477512 -0.988110
H 2.856124 -6.743519 -0.331661
H 2.183246 -6.740720 1.329938
H 3.929597 -7.026344 1.078219
H 4.401716 -4.797708 -1.095293
H 4.805381 -3.477857 0.042481
H 5.460278 -5.113834 0.324622
H -0.339048 1.164386 2.122301
H -2.351650 -0.526007 -1.953154
H -4.301288 2.923707 2.033394
H -2.076546 2.603319 3.139435
H -5.843844 2.433123 0.127498
H -4.572127 -0.212403 -3.080098
H -6.315966 1.269897 -2.037692


