%chk=000032212.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032212

0 1
 O   -3.559900       1.270800      0.4456000    
 O   -1.392200      -2.194900      0.6662000    
 O    2.628000       2.462000      0.4019000    
 O   -3.205500      -1.167000       1.643000    
 N   -5.334800     -0.6229000     -0.7227000    
 N    2.669100      0.1677000     -8.7200001E-02
 C   -5.570700      0.8197000     -0.7686000    
 C   -4.254000       1.579700     -0.7559000    
 C   -2.190700       1.284700      0.3891000    
 C   -1.458100      0.1387000      0.6804000    
 C   0.5878000       1.353600      0.2613000    
 C  -6.4999998E-02  0.1732000      0.6164000    
 C   -1.545300       2.465000      3.4499999E-02
 C  -0.1523000       2.499600     -2.9800000E-02
 C    4.054900     -0.1071000     -0.1909000    
 C    2.040100       1.388700      0.1928000    
 C   -4.510900      -1.042300      -1.855700    
 C   -6.604500      -1.348600     -0.7177000    
 C    4.490500      -1.389800     -0.4793000    
 C   -2.120200      -1.103700       1.052600    
 C    4.950000      0.9329000      8.9999998E-04
 C    5.859200      -1.640000     -0.5785000    
 C    3.534300      -2.518900     -0.6879000    
 C    6.318700      0.6828000     -9.8499998E-02
 C    6.773200     -0.6036000     -0.3881000    
 C   -1.941800      -3.480100      0.9760000    
 H   -6.147600       1.110600      0.1184000    
 H   -6.151900       1.106000      -1.654100    
 H   -3.649500       1.397300      -1.652300    
 H   -4.477100       2.653800     -0.7435000    
 H   0.4984000     -0.7101000      0.9037000    
 H   -2.109100       3.366700     -0.1877000    
 H   0.3365000       3.428500     -0.3121000    
 H   -4.449700      -2.136900      -1.894100    
 H   -4.914200     -0.7001000      -2.815900    
 H   -3.473500     -0.7092000      -1.763000    
 H   -7.212000      -1.056200      0.1461000    
 H   -7.188400      -1.168400      -1.627600    
 H   -6.431500      -2.426700     -0.6263000    
 H    2.072100     -0.6273000     -0.2883000    
 H    4.686300       1.954200      0.2278000    
 H    6.231000      -2.636000     -0.8036000    
 H    2.887000      -2.321500      -1.548800    
 H    2.920000      -2.675000      0.2053000    
 H    4.056700      -3.461400     -0.8865000    
 H    7.031800       1.488700      4.9500000E-02
 H    7.839000     -0.7982000     -0.4654000    
 H   -2.046000      -3.594200       2.059000    
 H   -2.908400      -3.605800      0.4791000    
 H   -1.252700      -4.243500      0.6055000    


%chk=000032212-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032212

0 1
O -3.453956 0.523768 -0.383165
O -0.969094 -2.462199 1.301695
O 2.748102 2.296252 -0.395884
O -3.066736 -2.101756 0.365429
N -6.241743 0.270482 -1.717608
N 3.034744 -0.019753 -0.102215
C -5.767264 1.250937 -0.717732
C -4.295742 1.638745 -0.886028
C -2.078687 0.671010 -0.395077
C -1.286170 -0.413013 0.113064
C 0.770514 0.904975 -0.300369
C 0.122816 -0.263134 0.160031
C -1.428146 1.850678 -0.854193
C -0.031706 1.961478 -0.803136
C 4.448553 -0.137143 0.028100
C 2.260081 1.129116 -0.266191
C -7.667772 0.444593 -2.062012
C -5.934075 -1.136227 -1.361545
C 4.982963 -1.456703 0.189615
C -1.902066 -1.689672 0.573950
C 5.311861 0.990620 0.005526
C 6.381683 -1.601233 0.328114
C 4.076072 -2.677491 0.216198
C 6.703279 0.808787 0.148453
C 7.247648 -0.484018 0.310148
C -1.475264 -3.769511 1.774541
H -5.932131 0.913504 0.335327
H -6.347430 2.185022 -0.851309
H -4.075228 1.811384 -1.956736
H -4.067899 2.549136 -0.293497
H 0.676238 -1.095896 0.604687
H -2.014165 2.683082 -1.250652
H 0.473678 2.871585 -1.142200
H -7.930271 -0.250392 -2.879937
H -8.364322 0.239527 -1.208890
H -7.852675 1.473837 -2.419734
H -4.879611 -1.239496 -1.067382
H -6.561143 -1.506147 -0.510971
H -6.128245 -1.783168 -2.236393
H 2.525831 -0.904423 -0.094448
H 4.880858 1.984206 -0.126643
H 6.796807 -2.608610 0.452988
H 3.500971 -2.795142 -0.724831
H 3.350336 -2.643379 1.054472
H 4.670005 -3.597272 0.344202
H 7.360504 1.685229 0.130576
H 8.328363 -0.624056 0.419435
H -2.355173 -3.627636 2.424209
H -1.760517 -4.405308 0.919038
H -0.637576 -4.209673 2.334080


