%chk=000013331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013331

0 1
 O    1.390700     -0.2851000       2.598200    
 N   -3.036100      0.5289000     -3.8100000E-02
 C   -1.788400     -4.6000000E-02  0.4643000    
 C  -0.5551000      0.5322000     -0.2764000    
 C   0.8713000      8.1400000E-02  0.2194000    
 C   -4.185500     -1.1600000E-02  0.7014000    
 C   -3.170300      0.2843000      -1.481000    
 C   -5.495100      0.6163000      0.2216000    
 C   -4.446700      0.9215000      -2.032200    
 C   -5.679800      0.4334000      -1.280500    
 C   -1.693600      0.2469000       1.964500    
 C   0.9750000      -1.454400     -8.9999998E-04
 C    2.025800      0.8050000     -0.5454000    
 C    1.081000      0.5217000       1.717200    
 C    1.017300       2.014200       2.042000    
 C    1.511500      -1.891500      -1.176600    
 C    3.302700      0.4817000     -0.2037000    
 C   0.5227000      -2.269700      0.9950000    
 C    1.674800       1.708800      -1.500200    
 C    1.228100       2.298000       3.520600    
 C    1.604300      -3.269200      -1.374500    
 C    4.333500       1.128100     -0.8861000    
 C   0.6155000      -3.647400      0.7973000    
 C    2.705500       2.355100      -2.182700    
 C    1.156200      -4.147100     -0.3875000    
 C    4.034800       2.064600      -1.875600    
 H   -1.817700      -1.132800      0.3224000    
 H  -0.6126000      0.2410000      -1.331600    
 H  -0.6458000       1.625100     -0.2251000    
 H   -4.165000      0.2422000       1.763000    
 H   -4.240600      -1.104200      0.6114000    
 H   -2.363500      0.7508000      -2.052200    
 H   -3.164500     -0.7905000      -1.703800    
 H   -6.340500      0.1654000      0.7538000    
 H   -5.500700       1.687400      0.4615000    
 H   -4.378400       2.014000      -1.950100    
 H   -4.548200      0.6872000      -3.098000    
 H   -5.847200     -0.6277000      -1.502100    
 H   -6.567800      0.9779000      -1.619700    
 H   -1.732500       1.317600       2.183800    
 H   -2.509900     -0.2179000       2.525700    
 H  -0.8673000     -0.2117000       2.481500    
 H   6.1400000E-02   2.434500       1.727600    
 H    1.806900       2.530500       1.488100    
 H    1.830900      -1.246800      -1.986600    
 H    3.549100     -0.2415000      0.5662000    
 H   5.1800001E-02  -1.955600       1.912200    
 H   0.6688000       1.972600      -1.793300    
 H    2.205800       1.937000       3.856700    
 H    1.178800       3.374400       3.712100    
 H   0.4602000       1.807200       4.127500    
 H    2.015300      -3.658900      -2.301200    
 H    5.368600      0.9026000     -0.6464000    
 H   0.2563000      -4.332000       1.560300    
 H    2.474100       3.083000      -2.955000    
 H    1.223700      -5.219800     -0.5436000    
 H    4.837300       2.567600      -2.407200    


%chk=000013331-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013331

0 1
O 1.910139 -0.267670 2.635212
N -3.029825 0.322078 -0.119264
C -1.823756 -0.103113 0.680354
C -0.610466 0.695775 0.114543
C 0.837163 0.175947 0.442091
C -4.341444 0.327987 0.577248
C -3.128436 -0.452338 -1.387335
C -5.423657 0.978999 -0.312582
C -4.167148 0.160690 -2.347650
C -5.551135 0.244332 -1.665338
C -1.994763 0.092252 2.199591
C 0.894942 -1.335860 0.109853
C 1.910414 0.941482 -0.397720
C 1.283674 0.542421 1.901760
C 1.028401 1.979057 2.381363
C 1.027040 -1.720590 -1.251568
C 3.263401 0.515129 -0.303028
C 0.698737 -2.358581 1.074460
C 1.612003 2.058088 -1.217874
C 1.986803 2.411702 3.507434
C 0.969526 -3.076278 -1.640323
C 4.284198 1.175803 -1.016401
C 0.649512 -3.717548 0.688580
C 2.634631 2.719773 -1.937673
C 0.782147 -4.085890 -0.668842
C 3.974244 2.283656 -1.840715
H -1.640930 -1.189500 0.510566
H -0.705058 0.690987 -0.986859
H -0.729675 1.749441 0.427643
H -4.256479 0.900709 1.515161
H -4.675000 -0.710773 0.845470
H -2.136198 -0.479615 -1.873281
H -3.408887 -1.518337 -1.174921
H -6.390302 0.973796 0.227995
H -5.142618 2.035386 -0.490593
H -3.832818 1.176491 -2.635036
H -4.221011 -0.450138 -3.269721
H -5.937278 -0.781737 -1.491620
H -6.280449 0.757301 -2.320677
H -2.178371 1.151939 2.458506
H -2.827533 -0.512220 2.598129
H -1.081270 -0.236369 2.724987
H -0.018987 2.030757 2.740925
H 1.091405 2.671381 1.522195
H 1.187113 -0.950591 -2.015336
H 3.507785 -0.343738 0.332683
H 0.610018 -2.102866 2.132213
H 0.583816 2.419764 -1.312400
H 3.030836 2.432625 3.148276
H 1.723697 3.420855 3.871763
H 1.943737 1.705324 4.353069
H 1.075869 -3.342969 -2.698168
H 5.319619 0.827889 -0.929398
H 0.508514 -4.489051 1.454326
H 2.381200 3.576534 -2.572584
H 0.744392 -5.140521 -0.964467
H 4.765415 2.798646 -2.397026


