%chk=000033999.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033999

0 1
 O   -1.105500     -0.3390000      -1.501800    
 O   0.3191000       1.506300     -0.1988000    
 O   -1.745500       2.518900     -0.1744000    
 N    2.873400       1.820600       1.016900    
 C   -1.599000      7.6099999E-02 -0.2118000    
 C   -3.126800     -9.3000000E-03 -0.1771000    
 C  -0.9786000     -0.7968000      0.8814000    
 C   -1.055100       1.507000     -0.2048000    
 C    2.451700       2.588600     -0.1539000    
 C   0.9437000       2.782500     -0.1540000    
 C    4.186900       1.219700      0.7882000    
 C   -3.857800      0.8858000      0.6043000    
 C  -0.6612000      -2.128700      0.6142000    
 C   -3.788400     -0.9818000     -0.9269000    
 C  -0.7301000     -0.2607000       2.145000    
 C   -1.622700      0.4875000      -2.525500    
 C    4.100600     -3.0000001E-04 -8.9900002E-02
 C    2.901200       2.673400       2.204700    
 C   -5.250100      0.8083000      0.6359000    
 C  -9.5500000E-02  -2.924400       1.610500    
 C   -5.180900      -1.059100     -0.8953000    
 C  -0.1644000      -1.056400       3.141200    
 C   -5.911600     -0.1641000     -0.1138000    
 C   0.1529000      -2.388300       2.873900    
 C   -1.080900      1.8300001E-02  -3.858900    
 C    2.950400     -0.7895000     -7.6399997E-02
 C    5.170900     -0.3416000     -0.9167000    
 C    2.870800      -1.919900     -0.8897000    
 C    5.091100      -1.471900      -1.730100    
 C    3.941200      -2.261000      -1.716500    
 H    2.698400       2.050200      -1.077900    
 H    2.962800       3.558000     -0.2104000    
 H   0.6603000       3.347000      -1.050700    
 H   0.5990000       3.341600      0.7221000    
 H    4.888300       1.955900      0.3731000    
 H    4.615800      0.8722000       1.738000    
 H   -3.380500       1.619000       1.246600    
 H  -0.8520000      -2.571300     -0.3595000    
 H   -3.244400      -1.706900      -1.526200    
 H  -0.9776000      0.7706000       2.380700    
 H   -1.294100       1.528600      -2.448500    
 H   -2.711800      0.4852000      -2.601800    
 H    3.198700       2.091400       3.084800    
 H    3.601900       3.509700       2.098900    
 H    1.911800       3.077800       2.438700    
 H   -5.818800       1.496100       1.254800    
 H   0.1508000      -3.961600       1.402700    
 H   -5.696000      -1.820000      -1.474300    
 H   2.7799999E-02 -0.6396000       4.125500    
 H   -6.995400     -0.2272000     -8.5699998E-02
 H   0.5933000      -3.007800       3.649600    
 H   1.4200000E-02  4.1099999E-02  -3.860900    
 H   -1.378200      -1.018100      -4.051100    
 H   -1.447400      0.6459000      -4.676400    
 H    2.112500     -0.5662000      0.5748000    
 H    6.072900      0.2642000     -0.9349000    
 H    1.980000      -2.539600     -0.8793000    
 H    5.924700      -1.738000      -2.373400    
 H    3.879500      -3.141800      -2.348900    


%chk=000033999-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033999

0 1
O -1.041657 -0.546730 -1.232396
O 0.114950 1.805755 -0.777999
O -0.992206 2.216937 1.227263
N 2.610390 1.762379 0.820846
C -1.467539 0.097371 0.018003
C -3.008836 0.229274 0.056881
C -0.963580 -0.827057 1.157596
C -0.772337 1.480473 0.236421
C 2.412401 2.626305 -0.355188
C 0.947467 3.029083 -0.580460
C 3.890912 1.017030 0.792572
C -3.695604 1.465113 0.001411
C -0.173762 -1.965147 0.872361
C -3.761839 -0.973901 0.067920
C -1.308836 -0.536928 2.501384
C -1.570012 0.023719 -2.491839
C 4.020093 0.040084 -0.374694
C 2.374899 2.433268 2.114670
C -5.109260 1.497510 -0.039106
C 0.265659 -2.805319 1.921279
C -5.170384 -0.942895 0.024104
C -0.866845 -1.375978 3.545885
C -5.852085 0.296690 -0.028710
C -0.076177 -2.514573 3.260759
C -0.879129 -0.731957 -3.626269
C 2.886129 -0.631601 -0.896841
C 5.296323 -0.243033 -0.922220
C 3.029310 -1.569798 -1.942901
C 5.443012 -1.189722 -1.962349
C 4.307577 -1.857435 -2.477156
H 2.766994 2.078681 -1.245423
H 3.004195 3.580029 -0.297979
H 0.854164 3.600821 -1.519326
H 0.524205 3.610088 0.256393
H 4.778780 1.702303 0.790891
H 3.943020 0.446149 1.741702
H -3.140529 2.408092 0.012924
H 0.077382 -2.190825 -0.166556
H -3.231898 -1.931873 0.108759
H -1.915802 0.346126 2.724977
H -1.338486 1.104723 -2.538160
H -2.669338 -0.112324 -2.527835
H 2.460294 1.691718 2.928334
H 3.099342 3.262164 2.319197
H 1.351650 2.842527 2.155525
H -5.627702 2.462315 -0.075206
H 0.877945 -3.683835 1.688127
H -5.736397 -1.881146 0.035789
H -1.141841 -1.142930 4.580795
H -6.947166 0.324250 -0.057736
H 0.265803 -3.166816 4.072556
H 0.213352 -0.580115 -3.584171
H -1.087502 -1.814337 -3.558012
H -1.246826 -0.368081 -4.603408
H 1.898290 -0.398135 -0.488551
H 6.180102 0.279764 -0.533705
H 2.140485 -2.074927 -2.339517
H 6.437238 -1.399542 -2.373665
H 4.417512 -2.587181 -3.287644


