%chk=000004640.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004640

0 1
 O   -3.988200       3.008900      0.2696000    
 O   -6.414900       1.849100     -0.3794000    
 N    1.597500      -1.255600     -0.1884000    
 N    4.194900     -7.1099997E-02 -9.1899998E-02
 N   -4.113100      -2.455000     -0.1701000    
 C    1.843300     -7.0000000E-02  0.6415000    
 C    2.435100      -1.204300      -1.393000    
 C   0.1834000      -1.344300     -0.5503000    
 C    3.309700      4.4000000E-03   1.074300    
 C    3.920800      -1.168900      -1.027600    
 C  -0.6956000      -1.493100      0.6940000    
 C   -2.150800      -1.610000      0.3480000    
 C   -3.051000     -0.5324000      0.2204000    
 C    5.509500      0.3992000      3.1000001E-03
 C   -2.811600      -2.777300      0.1072000    
 C   -4.288000      -1.090900     -0.1083000    
 C   -2.951400      0.8672000      0.3489000    
 C   -2.359800      -4.181700      0.1072000    
 C    6.208400      0.3576000       1.225900    
 C    6.174300      0.9278000      -1.121400    
 C   -5.435000     -0.3167000     -0.3158000    
 C   -4.090500       1.654300      0.1442000    
 C   -5.312200       1.069400     -0.1831000    
 C    7.519100      0.8256000       1.320700    
 C    7.485000       1.395700      -1.026800    
 C    8.157300       1.344600      0.1943000    
 C   -3.653500       3.743100     -0.9054000    
 C   -7.222500       2.124600      0.7620000    
 H    1.273300     -8.9000002E-02   1.573600    
 H    1.569900      0.8473000      0.1027000    
 H    2.186000     -0.3247000      -2.001900    
 H    2.257000      -2.091600      -2.012700    
 H  -0.1317000     -0.4670000      -1.131800    
 H   2.7500000E-02  -2.219900      -1.194100    
 H    3.458900      0.9492000       1.612100    
 H    3.533400     -0.8184000       1.765500    
 H    4.219100      -2.119000     -0.5659000    
 H    4.497300      -1.064700      -1.954000    
 H  -0.6084000     -0.6376000       1.370600    
 H  -0.3823000      -2.373600       1.270100    
 H   -4.843700      -3.118500     -0.3887000    
 H   -2.003000       1.333100      0.6027000    
 H   -1.475400      -4.303000     -0.5265000    
 H   -2.099200      -4.498400       1.122200    
 H   -3.132800      -4.860100     -0.2687000    
 H   -6.384100     -0.7773000     -0.5709000    
 H    5.748600     -5.1600002E-02   2.122000    
 H    5.666000      0.9897000      -2.081100    
 H    8.044000      0.7834000       2.270700    
 H    7.981200       1.802400      -1.903100    
 H    9.177800       1.708900      0.2679000    
 H   -3.617100       4.805000     -0.6473000    
 H   -4.412100       3.597700      -1.680900    
 H   -2.670500       3.440400      -1.280000    
 H   -8.054000       2.761300      0.4480000    
 H   -6.644700       2.655600       1.525000    
 H   -7.629600       1.197100       1.177100    


%chk=000004640-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004640

0 1
O -4.015950 2.945869 0.391573
O -6.546710 1.778402 -0.383295
N 1.604297 -1.125698 -0.182072
N 4.302316 -0.044843 -0.088156
N -4.209378 -2.604348 -0.290207
C 1.954981 -0.010643 0.730640
C 2.433583 -1.026614 -1.408706
C 0.154670 -1.183315 -0.500201
C 3.446269 -0.046230 1.113095
C 3.927144 -1.102403 -1.055437
C -0.714875 -1.647099 0.698859
C -2.174353 -1.770328 0.334115
C -3.116243 -0.668532 0.212790
C 5.650724 0.382145 0.010364
C -2.874057 -2.941762 0.017983
C -4.385776 -1.221762 -0.176844
C -3.006414 0.735575 0.389098
C -2.420030 -4.373271 -0.025197
C 6.229557 0.760105 1.261449
C 6.472968 0.491652 -1.154684
C -5.533526 -0.422929 -0.362768
C -4.137931 1.543663 0.189143
C -5.404625 0.964957 -0.166407
C 7.555004 1.239515 1.333360
C 7.797398 0.961543 -1.067669
C 8.355897 1.345462 0.174993
C -4.145316 3.742944 -0.848667
C -7.040927 2.469209 0.830110
H 1.358834 -0.091744 1.656340
H 1.726028 0.980313 0.258895
H 2.237947 -0.071700 -1.961122
H 2.178802 -1.869383 -2.078058
H -0.226193 -0.198678 -0.874205
H 0.020546 -1.909503 -1.324405
H 3.663347 0.854470 1.712613
H 3.639523 -0.942702 1.747239
H 4.139920 -2.107617 -0.624204
H 4.519232 -0.999283 -1.977446
H -0.611058 -0.928551 1.535156
H -0.308021 -2.609644 1.059847
H -4.933271 -3.273800 -0.541837
H -2.063312 1.214916 0.670856
H -1.371895 -4.453230 0.305824
H -3.029120 -5.019540 0.636675
H -2.478001 -4.796547 -1.047251
H -6.510299 -0.830284 -0.641706
H 5.658791 0.661894 2.189174
H 6.069623 0.238821 -2.140276
H 7.966200 1.519155 2.310696
H 8.395062 1.039624 -1.983695
H 9.385273 1.713417 0.236240
H -4.041040 4.794284 -0.537904
H -5.130183 3.575960 -1.322028
H -3.337916 3.479174 -1.559147
H -7.894525 3.078832 0.495061
H -6.252379 3.109493 1.264360
H -7.379014 1.727489 1.579442


