%chk=000127706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127706

0 1
 O  -0.2873000     -0.6593000       2.400000    
 O    2.213100      -1.727800      -2.484700    
 O   0.5754000      -2.596000      -1.105800    
 O   -1.722500     -0.2684000      -1.119600    
 O   -5.577300      -1.744300      -1.052000    
 N    1.470100      -1.283600       1.006200    
 N   -1.149200       1.068300      0.6999000    
 N   -4.252600      0.1817000     -0.9177000    
 N    2.544700       3.571600      3.6100000E-02
 N    1.123500       4.862600      -1.080000    
 C    2.245400      -1.094900     -0.2309000    
 C    3.720300      -1.473300     -8.1000000E-02
 C    1.688700      -2.540100       1.733000    
 C    3.935100      -2.798300      0.6461000    
 C    3.168300      -2.817800       1.961800    
 C   0.2691000      0.8570000      0.6678000    
 C   0.4502000     -0.4275000       1.438200    
 C   -3.456900      0.8516000      7.1699999E-02
 C    1.063400       1.980000       1.322100    
 C    1.563100      -1.899700      -1.298500    
 C   -3.966700      0.2908000       1.385700    
 C   -2.033200      0.4854000     -0.2010000    
 C   -4.495000      -1.097200       1.024300    
 C   -4.876800     -0.9610000     -0.4293000    
 C    1.295800       3.129300      0.3703000    
 C   0.4355000       3.941600     -0.3304000    
 C    1.664600      -2.443700      -3.595800    
 C    2.391000       4.612900     -0.8364000    
 H    2.228400     -5.1600002E-02 -0.5477000    
 H    4.233500      -1.501800      -1.048800    
 H    4.214800     -0.6867000      0.5051000    
 H    1.177100      -2.511600       2.700900    
 H    1.231800      -3.355000       1.161700    
 H    3.602100      -3.627900      1.0800000E-02
 H    5.003700      -2.948100      0.8360000    
 H    3.293100      -3.789900       2.451300    
 H    3.584200      -2.058800       2.636000    
 H   0.5147000      0.7449000     -0.3885000    
 H   -3.591300       1.933900     -1.4000000E-02
 H    2.038800       1.604100       1.658200    
 H   0.5524000       2.359900       2.215900    
 H   -3.227300      0.2460000       2.190400    
 H   -4.804100      0.9047000       1.741500    
 H   -1.525800       1.649800       1.443200    
 H   -3.712900      -1.857600       1.112900    
 H   -5.359300      -1.374000       1.632600    
 H   -4.323400      0.4833000      -1.884600    
 H    3.423600       3.198700      0.3700000    
 H  -0.6446000       3.913800     -0.3348000    
 H    1.702900      -3.520800      -3.407700    
 H   0.6365000      -2.120100      -3.784300    
 H    2.270600      -2.219300      -4.477500    
 H    3.235900       5.141300      -1.254400    


%chk=000127706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127706

0 1
O 1.087245 -0.002686 3.205561
O 0.826641 -2.762561 -1.865385
O -0.421668 -2.417810 0.066611
O -0.270355 1.417886 -1.486924
O -3.244076 -1.799381 -2.846473
N 1.780726 -1.186528 1.321591
N -0.540668 1.090783 0.790850
N -2.785566 0.350505 -1.996902
N 0.780561 3.856676 -0.273990
N 0.599636 5.964846 0.533755
C 1.852324 -1.416658 -0.137336
C 3.213205 -2.054714 -0.531574
C 2.063476 -2.384192 2.164816
C 3.509984 -3.323953 0.295100
C 3.425904 -3.008727 1.805360
C 0.907571 1.183846 1.091618
C 1.274584 -0.055678 1.947164
C -2.558131 1.021290 -0.707540
C 1.292096 2.478478 1.848825
C 0.628960 -2.255464 -0.597079
C -3.381294 0.130168 0.281447
C -1.030718 1.169518 -0.483796
C -3.463333 -1.256007 -0.405200
C -3.180881 -0.978310 -1.888366
C 0.956675 3.754827 1.117665
C 0.844265 5.068866 1.588034
C -0.303784 -3.531193 -2.469675
C 0.560587 5.197333 -0.574109
H 1.756067 -0.460389 -0.681238
H 3.198282 -2.276910 -1.611200
H 4.002807 -1.300681 -0.347107
H 2.026525 -2.052956 3.214007
H 1.246597 -3.118027 2.013049
H 2.780139 -4.117627 0.035398
H 4.510883 -3.714043 0.034567
H 3.563754 -3.927718 2.405310
H 4.235915 -2.307573 2.085865
H 1.416603 1.181778 0.114962
H -2.956403 2.054974 -0.728537
H 2.383424 2.422114 2.041564
H 0.813785 2.469263 2.843465
H -2.946567 0.070614 1.293231
H -4.387999 0.568908 0.386408
H -1.164187 0.893186 1.576777
H -2.684451 -1.950568 -0.042614
H -4.442559 -1.747035 -0.288694
H -2.364941 0.712719 -2.855221
H 0.698973 3.066710 -0.930977
H 0.929382 5.422139 2.613825
H -0.613392 -4.338000 -1.784954
H -1.159005 -2.865851 -2.671015
H 0.111288 -3.935363 -3.402843
H 0.376314 5.556277 -1.583772


