%chk=000132228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132228

0 1
 O   0.8741000     -0.9223000     -0.3823000    
 O   0.7990000     -0.4367000       1.881800    
 N   -5.457300       1.113600      0.8165000    
 N   -4.680800      -1.080100     -0.3286000    
 N    2.847200     -0.5470000      0.7824000    
 C   -3.706800       1.082400     -0.8197000    
 C   -5.033200      0.3486000     -0.3822000    
 C   -3.591000       2.293500      0.1108000    
 C   -2.669000      2.0800000E-02 -0.5722000    
 C   -5.007200       2.490100      0.6183000    
 C   -3.302900      -1.197600     -0.2993000    
 C   -3.742600       1.490800      -2.295800    
 C   -6.890000       1.038400       1.063800    
 C   -1.286700      0.1364000     -0.6060000    
 C   -5.605300      -2.111100      6.5600000E-02
 C   -2.538100      -2.329800     -5.7100002E-02
 C  -0.5219000      -1.001700     -0.3569000    
 C   -1.143700      -2.227300     -8.4299996E-02
 C    1.451000     -0.6162000      0.8541000    
 C    3.640700     -0.4146000       2.001600    
 C    3.591800     -0.7673000     -0.4634000    
 C    4.644400      0.7233000       1.864100    
 C    4.951100     -0.1134000     -0.5006000    
 C    5.464400      0.5815000      0.6088000    
 C    5.723800     -0.2126000      -1.666700    
 C    6.724600       1.189000      0.5247000    
 C    6.982800      0.3835000      -1.735700    
 C    7.481500       1.086000     -0.6418000    
 H   -5.786500      0.4827000      -1.172100    
 H   -3.217800       3.189500     -0.3964000    
 H   -2.920800       2.092500      0.9569000    
 H   -5.612900       3.014800     -0.1314000    
 H   -5.020900       3.065500       1.549300    
 H   -4.553800       2.201200      -2.489900    
 H   -2.802700       1.966900      -2.597600    
 H   -3.895300      0.6238000      -2.949200    
 H   -7.153900       1.621900       1.952800    
 H   -7.196500      7.4999998E-03   1.265100    
 H   -7.479400       1.416000      0.2207000    
 H  -0.8128000       1.088100     -0.8233000    
 H   -5.579800      -2.261600       1.149600    
 H   -5.373400      -3.061000     -0.4273000    
 H   -6.627600      -1.843200     -0.2202000    
 H   -2.999000      -3.289400      0.1542000    
 H  -0.5404000      -3.111400      0.1065000    
 H    4.152800      -1.372000       2.159600    
 H    2.996200     -0.2415000       2.869500    
 H    2.996000     -0.4028000      -1.307300    
 H    3.709700      -1.852500     -0.5683000    
 H    4.117000       1.684200       1.822000    
 H    5.295700      0.7324000       2.745700    
 H    5.344600     -0.7541000      -2.529900    
 H    7.123600       1.744800       1.369500    
 H    7.572300      0.3027000      -2.644200    
 H    8.459400       1.555200     -0.6974000    


%chk=000132228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132228

0 1
O 0.985068 -0.903898 0.157530
O 0.988573 0.697973 1.908368
N -5.997216 0.730577 0.471592
N -4.577798 -1.021677 -0.624455
N 2.979993 -0.146411 0.996402
C -3.685556 1.199946 -0.228804
C -5.002514 0.399485 -0.581130
C -3.980702 1.738123 1.216866
C -2.602905 0.125593 -0.219999
C -5.509805 1.899478 1.248187
C -3.209435 -1.156784 -0.381065
C -3.420246 2.354503 -1.220105
C -7.402705 0.815546 0.045046
C -1.225251 0.255808 -0.016397
C -5.529607 -2.109302 -0.776834
C -2.424699 -2.333280 -0.306290
C -0.446192 -0.927721 0.044618
C -1.030730 -2.201091 -0.092607
C 1.607404 -0.044441 1.102886
C 3.829642 0.628129 1.922764
C 3.662919 -1.051876 0.053052
C 4.789437 1.521177 1.113841
C 5.019962 -0.517793 -0.402870
C 5.560420 0.701027 0.087866
C 5.754852 -1.276531 -1.348040
C 6.825051 1.134093 -0.385687
C 7.008994 -0.835162 -1.817563
C 7.548067 0.380569 -1.333508
H -5.411472 0.675070 -1.584246
H -3.444777 2.681141 1.421220
H -3.664733 0.990110 1.963784
H -5.817455 2.867988 0.779201
H -5.918590 1.882385 2.275542
H -4.239370 3.097873 -1.192226
H -2.479673 2.877454 -0.967922
H -3.330929 1.977132 -2.254664
H -8.048296 0.956336 0.930685
H -7.716240 -0.120768 -0.447891
H -7.601174 1.661763 -0.660266
H -0.757404 1.233595 0.124619
H -6.048755 -2.356886 0.172352
H -5.017099 -3.017305 -1.140716
H -6.298185 -1.838082 -1.527119
H -2.867621 -3.329480 -0.402128
H -0.389871 -3.086429 -0.031847
H 4.407674 -0.071465 2.560353
H 3.163095 1.221414 2.567877
H 3.002287 -1.201937 -0.816362
H 3.802531 -2.051420 0.520130
H 4.197880 2.309140 0.607040
H 5.491146 2.033887 1.798597
H 5.336186 -2.219924 -1.722027
H 7.244260 2.072455 -0.001204
H 7.561782 -1.431585 -2.551687
H 8.523475 0.731876 -1.687961


