%chk=000001799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001799

0 1
 O    1.823200     -0.8707000      -1.207100    
 O    1.501200       1.682400      -1.679600    
 O    1.785300       2.563100       2.393000    
 O    3.043900      -2.443200      -2.789100    
 O    3.658900      -3.925500      -1.159800    
 N  -0.6940000       1.619300     -0.9181000    
 N    2.611000      0.8388000       1.066400    
 N    2.434100      -1.286800       2.925500    
 C    1.419900      9.3000000E-03   1.061900    
 C   0.8928000     -0.1820000     -0.3665000    
 C    1.676800      -1.384500       1.677100    
 C   0.6026000       1.120300      -1.047800    
 C    2.348400      -2.287700      0.6768000    
 C   -1.725600      0.9214000     -0.1613000    
 C   -1.112000       2.877500      -1.531000    
 C    2.391800      -1.985100     -0.6308000    
 C   -2.524400     -5.4299999E-02  -1.022000    
 C  -0.8942000       4.072300     -0.6104000    
 C    2.683600       2.044700       1.734900    
 C   -3.613200     -0.7621000     -0.2533000    
 C    3.102500      -2.903500      -1.521400    
 C   -1.347300       5.385100      -1.233100    
 C    4.038300       2.686000       1.596900    
 C   -3.342300      -1.972200      0.3854000    
 C   -4.890500     -0.2059000     -0.1809000    
 C   -4.348600      -2.626300       1.096100    
 C   -5.896700     -0.8601000      0.5300000    
 C   -5.625600      -2.070300       1.168500    
 H   0.6635000      0.5170000       1.671200    
 H   7.8999996E-03 -0.8218000     -0.3516000    
 H   0.7059000      -1.839300       1.914600    
 H    2.791600      -3.204200       1.058000    
 H    3.424100      0.5069000      0.5554000    
 H   -2.400300       1.673600      0.2683000    
 H   -1.302800      0.4078000      0.7052000    
 H   -2.162100       2.800000      -1.835100    
 H  -0.5233000       3.022200      -2.444700    
 H    2.429600      -2.189500       3.399400    
 H    1.968500     -0.6350000       3.556000    
 H   -1.868400     -0.7992000      -1.488600    
 H   -2.977100      0.4805000      -1.867700    
 H   0.1681000       4.147100     -0.3474000    
 H   -1.435200       3.921500      0.3313000    
 H  -0.7966000       5.589600      -2.156700    
 H   -2.416000       5.357100      -1.468400    
 H   -1.172000       6.214200     -0.5407000    
 H    4.325600       2.737600      0.5426000    
 H    4.008700       3.701200       2.002000    
 H    4.778600       2.100300       2.148900    
 H   -2.350100      -2.413400      0.3382000    
 H   -5.113100      0.7375000     -0.6723000    
 H   -4.137400      -3.568100       1.594100    
 H   -6.891000     -0.4269000      0.5871000    
 H    3.511000      -3.034100      -3.417700    
 H   -6.409000      -2.579500       1.722200    


%chk=000001799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001799

0 1
O 1.514497 -0.856965 -0.931172
O 1.400931 1.935364 -1.198581
O 3.265822 1.739758 3.123454
O 2.345015 -2.583264 -2.729518
O 3.271331 -4.023136 -1.158745
N -0.857972 1.680935 -0.698972
N 2.888765 0.938523 0.973545
N 2.959365 -1.132386 3.035884
C 1.681380 0.190983 1.347952
C 0.801804 -0.038373 0.089993
C 1.938003 -1.212353 1.997007
C 0.460694 1.267387 -0.654448
C 2.351223 -2.213830 0.928127
C -2.007308 0.926779 -0.148242
C -1.162172 2.943913 -1.422249
C 2.158395 -1.994972 -0.403284
C -2.543673 -0.162365 -1.125342
C -1.180163 4.176204 -0.488705
C 3.559703 1.730825 1.879516
C -3.719820 -0.913140 -0.519817
C 2.649896 -2.963723 -1.421477
C -1.523210 5.467017 -1.262356
C 4.687079 2.580053 1.310365
C -3.522088 -2.145024 0.155643
C -5.030736 -0.371645 -0.571553
C -4.604274 -2.818834 0.765933
C -6.115690 -1.041343 0.036835
C -5.905007 -2.267267 0.710327
H 1.121444 0.797779 2.089004
H -0.090111 -0.610675 0.400048
H 0.932217 -1.523020 2.392244
H 2.871695 -3.128554 1.227479
H 3.028890 1.093218 -0.032835
H -2.812535 1.653168 0.063675
H -1.752263 0.468122 0.823035
H -2.143623 2.826225 -1.921294
H -0.391070 3.080757 -2.199620
H 3.092621 -1.965436 3.608487
H 3.061191 -0.222475 3.500609
H -1.720476 -0.858813 -1.370746
H -2.837253 0.332847 -2.070424
H -0.186066 4.271593 -0.014163
H -1.915056 4.018281 0.325942
H -0.782842 5.658391 -2.060976
H -2.521845 5.401580 -1.734771
H -1.526216 6.342774 -0.589446
H 4.640843 2.679917 0.212778
H 4.649839 3.580382 1.771481
H 5.656394 2.125021 1.582867
H -2.517416 -2.585746 0.191019
H -5.204720 0.573367 -1.102545
H -4.435266 -3.772913 1.277712
H -7.122843 -0.612937 -0.017772
H 2.717005 -3.269376 -3.348264
H -6.745730 -2.789498 1.180255


