%chk=000063274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063274

0 1
 O   0.8849000      0.7705000     -0.3390000    
 O   -3.944800      -1.778800     -0.3406000    
 O    6.971400      0.6963000       1.187800    
 O    7.123400       1.008900     -0.9798000    
 N   -1.921400     -0.6880000      0.1745000    
 N   -1.926500       1.676600      0.4382000    
 N   -1.038100      -2.662000       1.195700    
 N    6.440800      0.8454000      6.0400002E-02
 C   -1.307400      0.5362000      0.4499000    
 C   -4.027200      0.5294000     -5.6000002E-02
 C   -3.299500       1.697000      0.1737000    
 C   -3.309100     -0.7624000     -7.0500001E-02
 C   0.1538000      0.5836000      0.8475000    
 C   -1.175700      -1.913100      8.2400002E-02
 C   -5.405900      0.5818000     -0.2936000    
 C   -3.969400       2.925900      0.1637000    
 C   -6.061200       1.812300     -0.3001000    
 C   -5.343700       2.984200     -7.2800003E-02
 C  -0.6479000      -2.240800      -1.152700    
 C    2.258700      0.7903000     -0.2400000    
 C   7.4500002E-02  -3.424800      -1.252600    
 C    2.854600      0.6284000       1.001700    
 C    3.021200      0.9709000      -1.384100    
 C  -0.3297000      -3.805400       1.060100    
 C    5.024700      0.8280000     -4.1400000E-02
 C    4.245800      0.6473000       1.101500    
 C    4.412400      0.9899000      -1.284200    
 C   0.2412000      -4.227700     -0.1296000    
 H   0.4225000     -0.3474000       1.355500    
 H   0.2918000       1.435000       1.526200    
 H   -5.983400     -0.3200000     -0.4770000    
 H   -3.422800       3.848600      0.3446000    
 H   -7.130600       1.857100     -0.4842000    
 H   -5.853300       3.943200     -7.7699997E-02
 H  -0.7828000      -1.607000      -2.022800    
 H    2.309900      0.4916000       1.928900    
 H    2.546400       1.096400      -2.352800    
 H   0.5072000      -3.720700      -2.203400    
 H  -0.2282000      -4.395400       1.965000    
 H    4.689100      0.5196000       2.085900    
 H    4.987000       1.132500      -2.195800    
 H   0.8008000      -5.154400     -0.1840000    


%chk=000063274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063274

0 1
O 0.872277 0.675491 -0.249226
O -3.603598 -1.625297 -1.099285
O 7.087394 0.537585 1.254597
O 7.150828 0.026313 -0.969671
N -1.852453 -0.412668 -0.073346
N -2.192259 1.829316 0.760845
N -0.391484 -1.988117 0.968562
N 6.511249 0.324291 0.115358
C -1.413274 0.787297 0.530553
C -4.086831 0.592799 -0.246194
C -3.550807 1.747321 0.404656
C -3.220693 -0.565741 -0.528727
C 0.033646 0.920354 0.948836
C -0.980670 -1.573898 -0.181942
C -5.457705 0.552618 -0.610660
C -4.400506 2.851140 0.684854
C -6.288869 1.649150 -0.326984
C -5.756987 2.799149 0.322638
C -0.820289 -2.225592 -1.424778
C 2.251552 0.606870 -0.074860
C 0.007257 -3.366918 -1.469165
C 2.917181 0.841050 1.158710
C 2.992630 0.288202 -1.245597
C 0.415349 -3.086733 0.907697
C 5.042771 0.424417 0.048852
C 4.319300 0.748085 1.217213
C 4.389027 0.195542 -1.187290
C 0.639451 -3.809826 -0.283924
H 0.281896 0.177785 1.728777
H 0.173769 1.951929 1.312029
H -5.837602 -0.345919 -1.107234
H -3.967133 3.724538 1.180865
H -7.347460 1.621366 -0.605283
H -6.411081 3.650438 0.539940
H -1.332280 -1.854790 -2.314149
H 2.360418 1.099372 2.062883
H 2.448552 0.118700 -2.178925
H 0.154598 -3.900546 -2.413379
H 0.881239 -3.389569 1.851509
H 4.862938 0.923374 2.149303
H 4.984243 -0.049003 -2.070628
H 1.287915 -4.690877 -0.278928


