%chk=000043181.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043181

1 1
 O  -0.6127000       1.145300     -2.2500001E-02
 O   -3.916600      -2.900200       1.704700    
 N   -3.079400       1.648300      2.3300000E-02
 C   -1.696000       1.734000      0.6998000    
 C   -3.424200      0.1760000     -0.2134000    
 C    3.076500      0.7266000      0.5589000    
 C    4.188200      0.1116000     -0.2942000    
 C    1.723400      0.6330000     -0.1448000    
 C   -4.156100       2.263700      0.9139000    
 C   -3.026700       2.447300      -1.277400    
 C    5.565100      0.1578000      0.3746000    
 C   0.6168000       1.278800      0.6771000    
 C    6.663400     -0.5226000     -0.4456000    
 C   -3.514700     -0.7017000      0.8670000    
 C   -3.647800     -0.2880000      -1.509700    
 C    7.998500     -0.5107000      0.3005000    
 C   -3.829000      -2.043400      0.6509000    
 C   -3.962000      -1.629700      -1.725700    
 C    9.085700      -1.218900     -0.4921000    
 C   -4.052600      -2.507400     -0.6454000    
 H   -1.494600       2.803400      0.8429000    
 H   -1.780200       1.271300       1.690400    
 H    3.315100       1.776900      0.7653000    
 H    3.025700      0.2099000       1.524800    
 H    3.934000     -0.9328000     -0.5148000    
 H    4.240600      0.6345000      -1.257100    
 H    1.771800       1.116700      -1.128500    
 H    1.468100     -0.4164000     -0.3388000    
 H   -3.936200       3.330200       1.026400    
 H   -5.129300       2.127600      0.4315000    
 H   -4.136900       1.786200       1.897500    
 H   -4.013900       2.433900      -1.750300    
 H   -2.768600       3.482000      -1.026300    
 H   -2.248200       2.037200      -1.928200    
 H    5.497800     -0.3274000       1.356400    
 H    5.841800       1.203500      0.5571000    
 H   0.8359000       2.341400      0.8341000    
 H   0.5376000      0.7859000       1.653100    
 H    6.371500      -1.558200     -0.6581000    
 H    6.771200     -1.2200000E-02  -1.410100    
 H   -3.344000     -0.3580000       1.883300    
 H   -3.593300      0.3420000      -2.390000    
 H    8.307500      0.5231000      0.4937000    
 H    7.886900      -1.003500       1.273300    
 H   -4.136300      -1.992000      -2.734700    
 H    8.821400      -2.265900     -0.6721000    
 H    10.03140      -1.197200      5.8400001E-02
 H    9.244700     -0.7331000      -1.460200    
 H   -4.297600      -3.551500     -0.8201000    
 H   -3.732000      -2.412200       2.525500    


%chk=000043181-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043181

1 1
O -0.682127 2.216257 -0.123705
O -3.013656 -2.382122 2.640818
N -3.137929 1.752964 -0.144613
C -1.866674 2.466232 0.566162
C -3.019509 0.242532 -0.023092
C 2.624294 0.292436 0.274644
C 4.039440 0.526514 -0.302337
C 1.616280 1.378570 -0.177918
C -4.408961 2.257324 0.539875
C -3.147649 2.236191 -1.590932
C 5.058593 -0.545740 0.144431
C 0.220351 1.110382 0.376238
C 6.471771 -0.319590 -0.439000
C -3.084778 -0.323195 1.274389
C -2.823284 -0.559877 -1.162322
C 7.493085 -1.391136 0.006863
C -2.958393 -1.727211 1.416644
C -2.696375 -1.962123 -0.992389
C 8.901826 -1.158290 -0.580035
C -2.759455 -2.551232 0.279269
H -2.109216 3.540784 0.497881
H -1.881490 2.105561 1.611432
H 2.682945 0.272615 1.382646
H 2.264732 -0.709185 -0.040526
H 3.986667 0.542089 -1.410633
H 4.402147 1.528185 0.007399
H 1.958729 2.375257 0.157868
H 1.570732 1.404898 -1.283533
H -4.480664 3.347435 0.401872
H -5.276759 1.760108 0.081681
H -4.379961 2.024604 1.613114
H -3.979650 1.763132 -2.132330
H -3.283742 3.328627 -1.583117
H -2.180178 2.000957 -2.054054
H 4.694733 -1.549646 -0.159423
H 5.118901 -0.558139 1.252813
H 0.208886 1.132902 1.484918
H -0.180252 0.143069 0.022320
H 6.416053 -0.308474 -1.547643
H 6.840189 0.682721 -0.136141
H -3.238755 0.290709 2.169561
H -2.764221 -0.144124 -2.168888
H 7.549904 -1.402352 1.114551
H 7.126344 -2.393188 -0.296047
H -2.547367 -2.594489 -1.872525
H 8.879282 -1.173606 -1.685961
H 9.611730 -1.936894 -0.247039
H 9.306095 -0.177502 -0.266442
H -2.666698 -3.631067 0.420921
H -3.184265 -1.778771 3.406636


