%chk=000022581.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022581

0 1
 O   -3.454400       1.416000      -1.858400    
 O   -1.652900      -2.216500      0.5321000    
 O   0.4797000      0.1494000      0.6878000    
 O    3.945200     -0.7211000      0.7071000    
 O    3.599300       1.857600     -4.0399998E-02
 O    2.048200     -7.7000000E-03   2.362100    
 N   -3.548900      0.6646000     -0.7294000    
 C   -2.186400      4.6799999E-02 -0.3317000    
 C   -2.417100      -1.469300     -0.3894000    
 C   -4.488900     -0.5027000     -0.9303000    
 C   -3.900400      -1.629000     -0.1126000    
 C   -3.949800       1.514400      0.4720000    
 C   -1.837700      0.6670000      0.9960000    
 C   -2.809700       1.477100       1.425000    
 C  -0.5232000      0.4595000       1.660300    
 C    2.713300     -0.3925000      4.4300001E-02
 C    2.282700      -1.670100     -0.7373000    
 C    1.734700     -6.3400000E-02   1.178500    
 C    2.969000      0.8522000     -0.8436000    
 C    2.172200      -2.938600      0.1137000    
 C    3.183700      -1.952200      -1.951200    
 C    1.703000       1.465900      -1.436800    
 C    3.938400       2.992900     -0.8178000    
 H   -1.471400      0.3624000      -1.101000    
 H   -2.184100      -1.835200      -1.396600    
 H   -5.503700     -0.2104000     -0.6488000    
 H   -4.462200     -0.7374000      -2.001300    
 H   -4.125500      -1.511700      0.9539000    
 H   -4.275000      -2.610300     -0.4188000    
 H   -4.855600       1.098000      0.9205000    
 H   -4.141600       2.527600      0.1058000    
 H   -2.773000       2.055400       2.337000    
 H  -0.2254000       1.361400       2.208300    
 H  -0.6012000     -0.3764000       2.364800    
 H   -1.977800      -2.028600       1.428500    
 H    1.276300      -1.495200      -1.140900    
 H    3.678200      0.5926000      -1.636600    
 H    3.146100      -3.237600      0.5148000    
 H    1.784900      -3.773400     -0.4806000    
 H    1.487500      -2.792800      0.9551000    
 H    2.909600      -2.901800      -2.424600    
 H    4.237600      -2.016300      -1.661700    
 H    3.076800      -1.181000      -2.719700    
 H    1.153800       2.080900     -0.7161000    
 H    1.951400       2.125900      -2.276400    
 H    1.036700      0.7034000      -1.850300    
 H    4.287600      9.0300001E-02   1.120100    
 H    3.066100       3.627600     -0.9982000    
 H    4.651500       3.588700     -0.2398000    
 H    4.422200       2.717200      -1.760400    


%chk=000022581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022581

0 1
O -1.996999 1.742502 -1.356840
O -3.737269 -2.130523 1.141295
O 0.707190 -1.498961 0.321895
O 3.937393 0.258250 0.461806
O 1.836303 1.800640 -0.356689
O 1.697086 -0.225937 2.004037
N -2.693649 1.132088 -0.292813
C -2.379391 -0.413072 -0.158136
C -3.756967 -1.125227 0.076794
C -4.220983 1.196837 -0.490450
C -4.778418 0.024586 0.325422
C -2.253966 1.744697 1.078447
C -1.416230 -0.485875 1.003704
C -1.374295 0.690373 1.690560
C -0.500047 -1.662073 1.213641
C 2.806211 -0.363842 -0.224289
C 3.341110 -1.673544 -0.882487
C 1.713366 -0.664212 0.835476
C 2.241767 0.685713 -1.245142
C 3.925963 -2.617911 0.195129
C 4.397717 -1.374222 -1.972314
C 1.113321 0.231669 -2.182514
C 1.259123 2.958086 -1.052187
H -1.923762 -0.690707 -1.122368
H -4.040417 -1.706084 -0.815349
H -4.574793 2.197649 -0.199295
H -4.357546 1.069586 -1.576315
H -4.804101 0.267080 1.406250
H -5.799478 -0.261439 0.025781
H -3.141346 1.992658 1.692512
H -1.718206 2.669618 0.808863
H -0.689978 0.894985 2.518150
H -0.152350 -1.728597 2.258610
H -0.939737 -2.613817 0.881118
H -3.416579 -1.697037 1.975898
H 2.471442 -2.176844 -1.346338
H 3.117681 1.025582 -1.839637
H 4.759986 -2.126326 0.723871
H 4.299796 -3.545505 -0.275533
H 3.164610 -2.902552 0.944520
H 4.821830 -2.322192 -2.351479
H 5.219866 -0.769775 -1.551421
H 3.972115 -0.831419 -2.835834
H 0.153250 0.171128 -1.647888
H 0.984475 0.954390 -3.007162
H 1.344184 -0.751542 -2.627547
H 3.592368 1.098452 0.866164
H 0.237395 2.728346 -1.410156
H 1.214807 3.762494 -0.298957
H 1.905948 3.285428 -1.893801


