%chk=000118411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118411

0 1
 O  -0.4312000       2.193600     -0.2847000    
 O   -4.201600      -1.564600      0.1692000    
 O    6.875100      0.2305000      0.7464000    
 N    1.477500      0.4377000     -0.5757000    
 N   -2.486300      -3.512600     -0.1027000    
 C  -0.9109000     -0.1273000     -0.2589000    
 C   -1.896500      -1.109500     -0.1408000    
 C   0.4257000     -0.4984000     -0.4483000    
 C   -2.681300       1.681900      1.4900000E-02
 C   -3.666800      0.6996000      0.1334000    
 C   -1.545500      -2.462900     -0.2128000    
 C   -1.267400       1.304400     -0.1857000    
 C   -3.310400     -0.7320000      5.9900001E-02
 C   0.7711000      -1.848300     -0.5192000    
 C  -0.2124000      -2.828500     -0.4018000    
 C   -3.032300       3.035300      8.6099997E-02
 C   -5.003500       1.070800      0.3229000    
 C    2.842200      0.3853000     -0.2409000    
 C   -4.365500       3.400800      0.2751000    
 C   -5.349000       2.420700      0.3931000    
 C   -2.155500      -4.794300      0.4339000    
 C    3.774100       1.117400     -0.9805000    
 C    3.272400     -0.3990000      0.8321000    
 C    5.128100       1.065300     -0.6492000    
 C    4.626300     -0.4510000       1.163500    
 C    5.554200      0.2812000      0.4229000    
 C    7.769500       1.004000     -5.2299999E-02
 H    1.792300      -2.173100     -0.6993000    
 H   9.9500000E-02  -3.865700     -0.4824000    
 H    1.203200       1.299300      -1.038100    
 H   -2.286400       3.820500     -2.7999999E-03
 H   -5.790700      0.3278000      0.4182000    
 H   -3.467100      -3.263000     -0.1430000    
 H   -4.637100       4.451100      0.3302000    
 H   -6.386100       2.708100      0.5401000    
 H   -1.627100      -4.710300       1.389600    
 H   -1.552700      -5.382500     -0.2652000    
 H   -3.073500      -5.362100      0.6180000    
 H    3.454300       1.731400      -1.818900    
 H    2.571000     -0.9599000       1.443900    
 H    5.794600       1.658400      -1.266100    
 H    4.951800      -1.059100       2.003100    
 H    7.778900      0.6610000      -1.092600    
 H    8.777300      0.8456000      0.3455000    
 H    7.558100       2.075500      2.9800000E-02


%chk=000118411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118411

0 1
O -0.393669 2.272558 -0.249923
O -4.315132 -1.624816 0.202536
O 7.062201 0.132293 0.460018
N 1.446468 0.505543 -0.183470
N -2.543268 -3.480280 0.147686
C -0.924208 -0.088488 -0.062883
C -1.952241 -1.104969 0.028539
C 0.467499 -0.470956 -0.108971
C -2.717695 1.704376 -0.026003
C -3.726455 0.702904 0.081386
C -1.584895 -2.501946 0.045914
C -1.289079 1.330660 -0.117798
C -3.366887 -0.734171 0.106056
C 0.793076 -1.872165 -0.141701
C -0.190304 -2.845955 -0.070440
C -3.087885 3.075056 -0.052928
C -5.090911 1.086077 0.160907
C 2.851400 0.366853 -0.042063
C -4.442228 3.445014 0.028599
C -5.448126 2.446276 0.135589
C -2.269572 -4.914789 0.160240
C 3.688370 1.235068 -0.790342
C 3.459516 -0.536727 0.877809
C 5.091438 1.198359 -0.651054
C 4.856410 -0.588024 1.011951
C 5.682442 0.272407 0.245089
C 7.957044 1.011584 -0.295885
H 1.836382 -2.172083 -0.269759
H 0.099675 -3.899592 -0.121240
H 1.021312 1.467171 -0.291745
H -2.291586 3.820462 -0.138269
H -5.841909 0.294451 0.241272
H -3.515609 -3.095596 0.202108
H -4.723556 4.503654 0.009354
H -6.502386 2.737647 0.198164
H -1.609713 -5.205949 1.001850
H -1.798132 -5.260771 -0.781839
H -3.223950 -5.452578 0.277298
H 3.230373 1.939496 -1.493558
H 2.836910 -1.165443 1.521535
H 5.704149 1.882202 -1.245503
H 5.329898 -1.272589 1.722288
H 7.851087 0.852527 -1.386891
H 8.971873 0.731338 0.022241
H 7.772268 2.077013 -0.056263


