%chk=000090024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090024

0 1
 O    3.020200      -1.093400       1.322400    
 O  -0.9988000      0.8493000      -1.314900    
 O    2.217900       2.288300      -1.478900    
 O  -0.9829000       3.105400       2.537000    
 N    1.852700      -2.278300     -0.2987000    
 N   -3.164000      0.3550000     -0.6347000    
 N    3.045500     -0.3961000     -0.8904000    
 N   -2.169200       2.321300      4.4000000E-02
 C   -1.102200      -2.695800      7.4000001E-02
 C   -2.444000      -2.304100      0.6979000    
 C  -3.5399999E-02  -2.917500       1.151700    
 C   -3.549800      -2.062100     -0.3361000    
 C    1.319700      -3.297400      0.5630000    
 C   -3.284800     -0.9114000      -1.302500    
 C    2.672100      -1.240900      0.1517000    
 C   -2.016400       1.148900     -0.6918000    
 C    3.892500      0.7573000     -0.6974000    
 C   -1.130700       3.318900      0.1514000    
 C    3.079200       2.000300     -0.3851000    
 C  -0.2217000       3.052200       1.337200    
 H  -0.7673000      -1.908300     -0.6077000    
 H   -1.224300      -3.609800     -0.5192000    
 H   -2.316800      -1.409000       1.318700    
 H   -2.772200      -3.105400       1.371700    
 H   6.9499999E-02  -2.004600       1.751300    
 H  -0.3624000      -3.713600       1.831100    
 H   -4.484500      -1.866200      0.2044000    
 H   -3.708400      -2.980500     -0.9142000    
 H    1.234500      -4.214200     -2.9999999E-02
 H    2.031300      -3.487200       1.374000    
 H   -4.137000     -0.8193000      -1.985200    
 H   -2.403700      -1.107200      -1.920600    
 H    1.617300      -2.312700      -1.285800    
 H   -3.970000      0.7090000     -0.1289000    
 H    2.697700     -0.5895000      -1.824400    
 H   -3.042300       2.477200      0.5384000    
 H    4.449300      0.8920000      -1.630500    
 H    4.603000      0.5557000      0.1106000    
 H   -1.638200       4.281800      0.2712000    
 H  -0.5520000       3.340300     -0.7769000    
 H    2.471100       1.856200      0.5120000    
 H    3.742200       2.857100     -0.2310000    
 H   0.2326000       2.059100       1.267500    
 H   0.5685000       3.806900       1.390800    
 H    1.750100       3.112500      -1.262400    
 H  -0.3694000       2.932900       3.271400    


%chk=000090024-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090024

0 1
O 3.563009 -1.277970 0.350258
O -0.733903 0.235012 -1.242597
O 2.655425 3.227806 -0.722120
O -1.040390 2.762799 2.473888
N 1.227599 -1.454041 0.129287
N -3.059598 0.203239 -0.958405
N 2.359563 0.285924 -0.930620
N -1.804143 2.032302 -0.188158
C -1.404016 -3.002822 0.322515
C -2.766982 -2.378813 0.707483
C -0.321750 -2.867378 1.432574
C -3.732105 -2.190621 -0.488131
C 1.108783 -2.715715 0.869359
C -3.252712 -1.140621 -1.527265
C 2.454375 -0.850749 -0.117536
C -1.807882 0.793608 -0.814194
C 3.549684 1.042604 -1.299691
C -0.551987 2.737870 0.122520
C 3.780479 2.301066 -0.453778
C -0.000426 2.362452 1.501268
H -1.040181 -2.507774 -0.596809
H -1.540700 -4.069981 0.056357
H -2.586720 -1.388255 1.172864
H -3.259252 -2.999828 1.482586
H -0.542159 -1.975515 2.053617
H -0.354672 -3.743736 2.108225
H -4.734213 -1.897026 -0.112538
H -3.868608 -3.153541 -1.021856
H 1.350538 -3.584877 0.218313
H 1.859573 -2.711729 1.679872
H -3.984969 -1.083036 -2.356539
H -2.284958 -1.432170 -1.967488
H 0.401774 -1.064918 -0.345935
H -3.888688 0.722612 -0.665623
H 1.435228 0.587609 -1.255286
H -2.615847 2.313489 0.365428
H 3.489487 1.339785 -2.363987
H 4.419081 0.373483 -1.165392
H -0.751214 3.824586 0.096931
H 0.205561 2.511836 -0.642832
H 3.817474 2.028350 0.620076
H 4.744325 2.768772 -0.748538
H 0.197517 1.272383 1.549222
H 0.947416 2.910318 1.676486
H 2.840110 4.100860 -0.294374
H -0.760426 2.505454 3.386664


