%chk=000058501.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058501

0 1
 O  -0.7461000       1.629900       1.413300    
 N   0.9371000      0.1402000      0.7652000    
 N    4.081100      -2.532500      -1.614600    
 C   -1.434800     -3.5700001E-02 -0.1660000    
 C  -0.3747000      0.6666000      0.7335000    
 C   -2.084400      -1.197000      0.5081000    
 C   -2.432500      0.9765000     -0.7630000    
 C    1.235300      -1.277600      0.5133000    
 C    2.035200       1.036500       1.058500    
 C   -2.541700      -2.276100     -0.2483000    
 C   -3.571200       1.258300     -5.4299999E-02
 C   -2.235000      -1.203700       1.894700    
 C   -2.132000       1.544800      -1.973500    
 C    2.149900      -1.458900     -0.6635000    
 C    1.913100       2.349400      0.6889000    
 C    3.135800      0.5226000       1.690800    
 C   -3.149600      -3.361900      0.3819000    
 C   -4.474200       2.174000     -0.5947000    
 C   -2.842600      -2.289500       2.525000    
 C   -3.034800       2.460400      -2.513800    
 C    1.932600     -0.7583000      -1.836300    
 C   -3.300000      -3.368600       1.768600    
 C   -4.205900       2.775000      -1.824400    
 C    3.220100      -2.324700     -0.5933000    
 C    2.970900       3.213200      0.9724000    
 C    4.193700       1.386400       1.974600    
 C    4.111200       2.731700       1.615300    
 C    2.797000     -0.9455000      -2.909300    
 C    3.846500      -1.835700      -2.749000    
 H  -0.8804000     -0.4461000      -1.019300    
 H   0.3317000      -1.850500      0.3109000    
 H    1.640600      -1.719600       1.430500    
 H   -2.431700      -2.283800      -1.329500    
 H   -3.800600      0.8251000      0.9117000    
 H   -1.906000     -0.3789000       2.518500    
 H   -1.221200       1.307300      -2.513400    
 H    1.059700       2.747900      0.1507000    
 H    3.232400     -0.5065000       2.013900    
 H   -3.506000      -4.201900     -0.2070000    
 H   -5.383900       2.422700     -5.6100000E-02
 H   -2.962900      -2.293800       3.604400    
 H   -2.825400       2.929500      -3.470800    
 H    1.110500     -6.0500000E-02  -1.949800    
 H   -3.774000      -4.213600       2.259300    
 H   -4.908100       3.489000      -2.244600    
 H    3.433600      -2.898100      0.3028000    
 H    2.911100       4.258800      0.6844000    
 H    5.079500       1.013300       2.480500    
 H    4.935300       3.404000       1.835400    
 H    2.654500     -0.4104000      -3.841200    
 H    4.549200      -2.016800      -3.555700    


%chk=000058501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058501

0 1
O -0.568112 1.851242 0.997765
N 1.114332 0.250087 0.743852
N 1.914226 -2.455657 -3.307445
C -1.156812 -0.183209 -0.258961
C -0.190299 0.739256 0.529127
C -1.800610 -1.211255 0.691045
C -2.191109 0.635501 -1.041982
C 1.547823 -1.087622 0.258171
C 2.066150 1.044839 1.500104
C -2.175442 -2.481109 0.179997
C -3.229562 1.346890 -0.391678
C -2.061711 -0.918260 2.053940
C -2.105564 0.685507 -2.455521
C 1.884321 -1.137765 -1.231111
C 2.272858 2.410257 1.180246
C 2.801698 0.455235 2.557899
C -2.798351 -3.438463 1.010133
C -4.162984 2.092396 -1.143522
C -2.683375 -1.876969 2.885834
C -3.040513 1.429992 -3.210678
C 2.504644 -0.055272 -1.902334
C -3.054478 -3.139018 2.368836
C -4.073716 2.136555 -2.555010
C 1.611519 -2.307930 -1.983990
C 3.216133 3.167888 1.905740
C 3.752205 1.217198 3.272806
C 3.965266 2.576171 2.949608
C 2.825852 -0.187727 -3.270392
C 2.516586 -1.399975 -3.930952
H -0.575621 -0.745042 -1.010906
H 0.784193 -1.848905 0.499659
H 2.452729 -1.361386 0.827579
H -1.993144 -2.712288 -0.877313
H -3.302036 1.324420 0.699553
H -1.778096 0.058456 2.463266
H -1.303894 0.139396 -2.969848
H 1.680615 2.876125 0.388439
H 2.615714 -0.585784 2.845492
H -3.084742 -4.413112 0.599082
H -4.960415 2.640560 -0.629049
H -2.879333 -1.636847 3.937030
H -2.962749 1.456533 -4.303529
H 2.725745 0.872161 -1.363709
H -3.537451 -3.880345 3.015148
H -4.801601 2.714141 -3.136145
H 1.124896 -3.171315 -1.510404
H 3.365831 4.223465 1.653757
H 4.313694 0.750743 4.089727
H 4.698460 3.168213 3.507782
H 3.304941 0.629399 -3.818909
H 2.749189 -1.540471 -4.992532


