%chk=000045496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045496

0 1
 O    3.676700       2.361100       1.607800    
 O    3.844100       2.907900      -1.110300    
 O   -6.107700       2.489600     -0.9083000    
 O   -6.823800      0.4986000      -1.493200    
 N    1.579600      -3.116400     -0.3886000    
 N   -5.995400       1.239800     -0.9106000    
 C    1.981400      -2.177600      0.6937000    
 C    2.482800     -0.8168000      0.2029000    
 C   0.7714000      -1.976400       1.626200    
 C    2.430600      -2.993800      -1.578100    
 C    2.276000      -1.600900      -2.179800    
 C    2.620200     -0.5455000      -1.169400    
 C  -0.3760000      -1.306800      0.8852000    
 C    1.592600      -4.510900      6.9899999E-02
 C    2.868100      0.1741000       1.122700    
 C    3.061000      0.7146000      -1.599500    
 C   -1.586400      -1.142500       1.806800    
 C    3.322000       1.420600      0.6882000    
 C    3.409400       1.694000     -0.6726000    
 C   -2.752500     -0.5131000       1.088500    
 C   -2.885600      0.8674000       1.085100    
 C   -3.673500      -1.324000      0.4421000    
 C   -3.964300       1.450400      0.4202000    
 C   -4.752200     -0.7411000     -0.2230000    
 C    2.653000       3.246800       2.056700    
 C   -4.897700      0.6461000     -0.2339000    
 C    5.246100       3.054900      -1.328700    
 H    2.812200      -2.618900       1.262000    
 H   0.4370000      -2.931900       2.045800    
 H    1.048400      -1.368500       2.496000    
 H    3.482100      -3.196200      -1.332100    
 H    2.126700      -3.723000      -2.339500    
 H    2.937400      -1.519200      -3.050600    
 H    1.246700      -1.442000      -2.524600    
 H  -0.6747000      -1.899600      1.2100000E-02
 H  -8.5500002E-02 -0.3184000      0.5108000    
 H   0.8953000      -4.674300      0.8963000    
 H    2.591000      -4.828100      0.3920000    
 H    1.265000      -5.180600     -0.7339000    
 H    2.820200     -2.3399999E-02   2.191000    
 H    3.142500      0.9266000      -2.663200    
 H   -1.890800      -2.117100       2.210400    
 H   -1.318100     -0.5305000       2.677800    
 H   -2.162400       1.501900       1.589700    
 H   -3.567200      -2.405200      0.4434000    
 H   -4.045100       2.534300      0.4322000    
 H   -5.459300      -1.398800     -0.7221000    
 H    2.252600       3.828400       1.220200    
 H    1.848500       2.687300       2.544500    
 H    3.090800       3.936000       2.784000    
 H    5.800800       2.884500     -0.4006000    
 H    5.588000       2.361800      -2.104000    
 H    5.434800       4.077700      -1.666000    


%chk=000045496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045496

0 1
O 3.900154 2.274626 1.653217
O 3.961266 2.906459 -1.214290
O -6.362004 2.456881 -0.848888
O -6.953578 0.405604 -1.651812
N 1.625059 -3.170902 -0.378442
N -6.189624 1.179917 -0.953106
C 1.982322 -2.198961 0.698139
C 2.507074 -0.859478 0.161647
C 0.749960 -1.977105 1.635114
C 2.362131 -3.003710 -1.651925
C 2.096984 -1.603072 -2.226597
C 2.536489 -0.551096 -1.224478
C -0.456325 -1.334640 0.922378
C 1.655696 -4.567828 0.096273
C 2.966092 0.108771 1.088238
C 3.032209 0.705211 -1.647711
C -1.695109 -1.221893 1.857130
C 3.437127 1.367345 0.668421
C 3.491174 1.663765 -0.724347
C -2.885936 -0.597857 1.153052
C -3.125537 0.801205 1.224279
C -3.762202 -1.395871 0.367624
C -4.202320 1.394852 0.538579
C -4.845455 -0.825937 -0.326572
C 3.141858 3.545829 1.721297
C -5.051192 0.568650 -0.230651
C 5.395817 3.167127 -0.948624
H 2.796884 -2.630908 1.337825
H 0.446288 -2.952401 2.065323
H 1.063077 -1.347518 2.491724
H 3.465598 -3.154707 -1.530028
H 1.998872 -3.779050 -2.352269
H 2.634950 -1.473112 -3.184198
H 1.013642 -1.511615 -2.439203
H -0.709073 -1.943480 0.033931
H -0.183639 -0.326723 0.553944
H 1.005772 -4.693321 0.979166
H 2.683200 -4.912766 0.376826
H 1.275183 -5.236201 -0.696676
H 2.965207 -0.094383 2.164973
H 3.087087 0.952012 -2.713890
H -1.957971 -2.235417 2.219256
H -1.422138 -0.621086 2.746691
H -2.459831 1.428620 1.827934
H -3.591542 -2.476830 0.305661
H -4.399570 2.468984 0.587522
H -5.528742 -1.428471 -0.930863
H 3.151901 4.065664 0.746468
H 2.097068 3.348522 2.029181
H 3.650260 4.150005 2.488175
H 5.611822 3.130602 0.134553
H 6.020756 2.424346 -1.480104
H 5.589607 4.174240 -1.348271


