%chk=000115950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115950

0 1
 O   -4.309300       1.773500      -1.421500    
 O   -5.837200      0.8873000      0.7248000    
 N  -6.8000001E-03  -1.444800     -0.1078000    
 N    2.608800     -0.3174000      0.1089000    
 N    4.232600      0.6314000       1.586000    
 N    6.053100      0.7851000     -0.5420000    
 C   0.2181000     -2.5699999E-02 -0.4083000    
 C    1.173800      -2.229400     -0.4904000    
 C    1.427600      0.5143000      0.3588000    
 C    2.414300      -1.763300      0.2750000    
 C   -1.195700      -1.934800     -0.8043000    
 C    3.886500      0.2050000      0.3385000    
 C   -2.433900      -1.179700     -0.3994000    
 C    4.808900      0.2921000     -0.7017000    
 C   -2.801600     -4.2199999E-02  -1.104200    
 C   -3.189200      -1.631700      0.6736000    
 C   -3.948200      0.6576000     -0.7284000    
 C   -4.335700     -0.9318000       1.049500    
 C    4.453500     -0.1682000      -2.075100    
 C   -4.715200      0.2129000      0.3484000    
 C    5.476800       1.124400       1.745600    
 C    6.371000       1.200000      0.7004000    
 C   -3.787600       3.018900     -0.9620000    
 C   -6.564600      0.3665000       1.835600    
 H  -0.6123000      0.6040000     -7.9599999E-02
 H   0.3651000      0.1319000      -1.485200    
 H    1.358800      -2.150700      -1.570300    
 H    1.010400      -3.289900     -0.2632000    
 H    1.617600       1.545900      3.7700001E-02
 H    1.217500      0.5367000       1.435900    
 H    2.309600      -1.994000       1.342900    
 H    3.284900      -2.318700     -9.3999997E-02
 H   -1.348100      -2.998700     -0.5775000    
 H   -1.073200      -1.880100      -1.895300    
 H   -2.218900      0.3021000      -1.954800    
 H   -2.900500      -2.520800       1.227200    
 H   -4.881800      -1.335000       1.895300    
 H    5.261200      5.4099999E-02  -2.780900    
 H    4.289400      -1.249800      -2.091800    
 H    3.554200      0.3412000      -2.436200    
 H    5.732800       1.457800       2.743500    
 H    7.370500       1.596300      0.8294000    
 H   -2.694100       3.018000      -1.011300    
 H   -4.117500       3.220600      6.1999999E-02
 H   -4.166500       3.810700      -1.614000    
 H   -7.424300       1.025700       1.995400    
 H   -5.969800      0.3917000       2.755200    
 H   -6.964200     -0.6312000       1.624500    


%chk=000115950-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115950

0 1
O -5.493573 1.189816 -1.692740
O -5.988331 0.726135 1.078958
N 0.116682 -0.973295 -0.621760
N 2.855791 -0.344725 0.046799
N 4.317199 0.920294 1.403296
N 6.586264 -0.240654 0.184085
C 0.554058 0.428450 -0.407908
C 1.232051 -1.790627 -1.149744
C 1.744212 0.492358 0.563318
C 2.426724 -1.745285 -0.181934
C -1.109225 -1.077195 -1.448767
C 4.170209 -0.017758 0.408851
C -2.354665 -0.553926 -0.740512
C 5.339009 -0.551485 -0.265591
C -3.351030 0.141516 -1.464334
C -2.563492 -0.790662 0.637450
C -4.544227 0.580836 -0.852113
C -3.749835 -0.359098 1.269772
C 5.281996 -1.372689 -1.536624
C -4.756996 0.312036 0.535342
C 5.579077 1.243366 1.799175
C 6.713118 0.624003 1.237855
C -6.076090 2.476896 -1.260716
C -6.254310 0.387638 2.479077
H -0.290245 1.000359 0.015840
H 0.846330 0.910959 -1.375408
H 1.571538 -1.434851 -2.157043
H 0.889660 -2.837459 -1.254435
H 2.104917 1.525766 0.676238
H 1.427465 0.138105 1.567421
H 2.115436 -2.194060 0.787630
H 3.255194 -2.344616 -0.583026
H -1.248349 -2.152185 -1.684749
H -0.997503 -0.550427 -2.430854
H -3.226167 0.360717 -2.530885
H -1.784852 -1.307738 1.207763
H -3.891081 -0.564654 2.335420
H 6.215070 -1.204582 -2.098287
H 5.217249 -2.459947 -1.336515
H 4.417427 -1.086224 -2.161780
H 5.667176 2.009700 2.577163
H 7.728070 0.841593 1.583137
H -5.276935 3.226445 -1.098485
H -6.669824 2.355085 -0.340514
H -6.716672 2.790801 -2.099172
H -7.266879 0.768825 2.678059
H -5.530975 0.878084 3.159221
H -6.229870 -0.707839 2.636925


