%chk=000003648.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003648

0 1
 O   -1.977600     -0.4511000       1.251800    
 O   -2.618900      -2.556800     -0.3366000    
 O   -3.658700       1.827200      0.5391000    
 N    3.141500      0.1445000      0.4790000    
 C   0.3589000     -0.6703000      0.6638000    
 C    1.341100      -1.284400     -0.3401000    
 C    2.348600     -0.1614000     -0.7366000    
 C  -0.9329000      -1.437900      0.9850000    
 C    1.144500     -0.2635000       1.928900    
 C  -0.2871000      0.5300000      6.8099998E-02
 C   0.6319000      -1.947300      -1.527600    
 C    1.645200       1.077300      -1.395700    
 C    2.347700      0.6415000       1.607700    
 C   0.2860000       1.403600     -0.8356000    
 C  -0.3701000      -2.981900      -1.028000    
 C   -1.421900      -2.326000     -0.1620000    
 C   -1.595100      0.6323000      0.4959000    
 C    4.296200      0.9982000      0.2213000    
 C  -0.4937000       2.486200      -1.243000    
 C   -2.377000       1.699400      0.1178000    
 C   -1.808900       2.640200     -0.7533000    
 H    1.900400      -2.089000      0.1625000    
 H    3.042200     -0.5820000      -1.477200    
 H  -0.8191000      -2.077300       1.867900    
 H    1.509100      -1.172200       2.426700    
 H   0.5004000      0.2502000       2.654500    
 H    1.373100      -2.438900      -2.168600    
 H   0.1151000      -1.209200      -2.151100    
 H    1.506900      0.8468000      -2.460600    
 H    2.282200       1.966300      -1.355300    
 H    2.001400       1.665500       1.420700    
 H    2.977100      0.6902000       2.505300    
 H   0.1218000      -3.765600     -0.4421000    
 H  -0.8637000      -3.457100      -1.882600    
 H    4.952000       1.021100       1.099000    
 H    4.018600       2.030500     -1.4100000E-02
 H    4.897800      0.6032000     -0.6046000    
 H  -0.1024000       3.208200      -1.954600    
 H   -2.397900       3.491500      -1.087200    
 H   -3.865600       1.076200       1.122200    


%chk=000003648-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003648

0 1
O -1.963337 -0.436959 1.338595
O -2.675687 -2.508821 -0.379902
O -3.727202 1.896074 0.562391
N 3.138266 0.167921 0.483484
C 0.369485 -0.688210 0.664988
C 1.354826 -1.298991 -0.364343
C 2.354451 -0.157755 -0.745696
C -0.927879 -1.492503 1.014279
C 1.172043 -0.312995 1.947019
C -0.271207 0.545039 0.052109
C 0.623141 -1.955348 -1.550463
C 1.664973 1.076375 -1.443170
C 2.319853 0.662656 1.618210
C 0.297179 1.430319 -0.869624
C -0.374314 -3.025018 -1.018288
C -1.449297 -2.369197 -0.156505
C -1.581886 0.664807 0.519890
C 4.333072 0.995458 0.243927
C -0.515785 2.530420 -1.261979
C -2.400833 1.739390 0.135848
C -1.829584 2.687162 -0.754448
H 1.966706 -2.074098 0.140545
H 3.085084 -0.572842 -1.469197
H -0.826993 -2.110438 1.924970
H 1.591566 -1.240585 2.384400
H 0.499533 0.147995 2.694683
H 1.352704 -2.440802 -2.226088
H 0.070229 -1.205478 -2.147490
H 1.553366 0.853004 -2.524464
H 2.354598 1.942431 -1.392049
H 1.899506 1.679381 1.421106
H 2.983418 0.757298 2.498922
H 0.189639 -3.760321 -0.406518
H -0.874773 -3.571366 -1.835809
H 4.964808 0.997874 1.151340
H 4.112871 2.062163 -0.011201
H 4.925485 0.563232 -0.582824
H -0.138017 3.264083 -1.983757
H -2.454561 3.527571 -1.072918
H -4.016344 1.089273 1.060726


