%chk=000037179.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037179

0 1
 O   0.4069000       2.072200     -0.2110000    
 N   -3.409800      0.2591000      0.3084000    
 N    2.718700      -1.853500      0.1568000    
 C  -0.9958000      8.9299999E-02 -0.1586000    
 C   -2.133500      0.9727000      0.3466000    
 C  -0.9339000      -1.220700      0.6591000    
 C   -3.738000     -0.1339000      -1.069100    
 C   -4.476700       1.082300      0.8945000    
 C   0.2093000      -2.138700      0.1993000    
 C   0.3460000      0.8493000     -0.1195000    
 C   -5.046200     -0.9248000      -1.120600    
 C   -5.809000      0.3314000      0.9071000    
 C    1.545100      2.9300001E-02 -3.6400001E-02
 C    1.455600      -1.338200      0.1083000    
 C   -6.192200     -0.1420000     -0.4904000    
 C    2.929100      0.3654000     -6.6699997E-02
 C    3.640900     -0.8340000      5.5199999E-02
 C    3.655400       1.568500     -0.1872000    
 C    5.039700     -0.8853000      6.2700003E-02
 C    5.054500       1.530500     -0.1809000    
 C    5.734100      0.3213000     -5.7599999E-02
 H   -1.118600     -0.1503000      -1.221800    
 H   -2.187200       1.896100     -0.2459000    
 H   -1.910900       1.278700       1.377700    
 H   -1.868300      -1.788200      0.5880000    
 H  -0.7870000     -0.9776000       1.720800    
 H   -2.986700     -0.8010000      -1.499800    
 H   -3.812400      0.7459000      -1.721800    
 H   -4.591200       2.024700      0.3427000    
 H   -4.221700       1.339700       1.929700    
 H  -2.5300000E-02  -2.562300     -0.7842000    
 H   0.3250000      -2.969100      0.9043000    
 H   -4.920700      -1.878500     -0.5918000    
 H   -5.293100      -1.166200      -2.160800    
 H   -6.596300      0.9809000       1.306200    
 H   -5.736700     -0.5335000       1.578800    
 H   -6.431900      0.7252000      -1.117800    
 H   -7.092300     -0.7647000     -0.4433000    
 H    2.947900      -2.832900      0.2577000    
 H    3.144000       2.521800     -0.2848000    
 H    5.570400      -1.826700      0.1586000    
 H    5.615600       2.456600     -0.2735000    
 H    6.821000      0.3144000     -5.4900002E-02


%chk=000037179-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037179

0 1
O 0.402473 2.010983 -0.457688
N -3.456658 0.244793 0.131826
N 2.834304 -1.889399 0.402192
C -0.959047 -0.018489 -0.086731
C -2.137001 0.916483 0.276494
C -0.868344 -1.222831 0.886147
C -3.904546 0.183862 -1.283860
C -4.499732 0.863281 0.991172
C 0.278429 -2.198931 0.517402
C 0.374238 0.766851 -0.184772
C -5.201747 -0.638591 -1.425678
C -5.816131 0.061903 0.929403
C 1.583637 -0.028920 0.008302
C 1.535488 -1.401960 0.318370
C -6.317803 -0.057484 -0.528006
C 2.987695 0.344543 -0.100500
C 3.753605 -0.845007 0.150787
C 3.663733 1.555272 -0.388721
C 5.162311 -0.861494 0.126877
C 5.074481 1.547778 -0.416211
C 5.814687 0.357427 -0.161560
H -1.134900 -0.424983 -1.108742
H -2.062943 1.844744 -0.335102
H -2.023424 1.224059 1.334357
H -1.842532 -1.743165 0.882465
H -0.699404 -0.841045 1.913025
H -3.103526 -0.272165 -1.894789
H -4.075549 1.217062 -1.689258
H -4.703971 1.923540 0.682614
H -4.121013 0.891362 2.030128
H 0.019697 -2.741751 -0.416675
H 0.405446 -2.966491 1.305979
H -4.995246 -1.685282 -1.128423
H -5.517928 -0.646362 -2.486810
H -6.576876 0.553745 1.566076
H -5.634826 -0.949905 1.341945
H -6.603113 0.947882 -0.901713
H -7.225074 -0.689333 -0.576362
H 3.085756 -2.850366 0.629101
H 3.088797 2.464976 -0.582096
H 5.735226 -1.775174 0.320630
H 5.615523 2.474583 -0.636934
H 6.909606 0.387196 -0.190564


