%chk=000005501.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005501

0 1
 O    3.903800     -4.3000001E-02  0.2172000    
 O    2.412800       1.355600     -0.8297000    
 N   0.5250000      0.5146000      0.9766000    
 N  -0.2048000      -1.643200      0.3640000    
 N    1.800900      5.4000001E-02  0.9879000    
 N   -1.158000      -2.500000     -8.8100001E-02
 C   -1.752900      0.1998000      0.2014000    
 C   -2.736500     -0.6845000     -0.2658000    
 C  -0.5042000     -0.3333000      0.5013000    
 C   -2.057300       1.563700      0.3469000    
 C   -4.015100     -0.1967000     -0.5838000    
 C   -3.330100       2.038300      2.8400000E-02
 C   -2.384900      -2.024000     -0.3916000    
 C   -4.307100       1.159800     -0.4360000    
 C    4.923100      0.3669000     -0.7015000    
 C    2.677400      0.5338000      4.2399999E-02
 C    6.207900     -0.3617000     -0.3696000    
 H   -1.324600       2.284800      0.6987000    
 H   -4.789400     -0.8683000     -0.9474000    
 H   -3.559400       3.094000      0.1411000    
 H   -3.088000      -2.770800     -0.7457000    
 H   -5.297300       1.531200     -0.6838000    
 H   0.2988000       1.242500       1.642500    
 H    2.043500     -0.6187000       1.706200    
 H    4.612600      0.1229000      -1.723600    
 H    5.077900       1.448200     -0.6160000    
 H    7.010000     -7.1500003E-02  -1.053800    
 H    6.521400     -0.1421000      0.6564000    
 H    6.063800      -1.445300     -0.4328000    


%chk=000005501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005501

0 1
O 4.069396 -0.176676 -0.108123
O 2.869038 1.870616 -0.149998
N 0.552393 0.449694 -0.060483
N -0.316625 -1.682274 0.027155
N 1.800257 -0.189067 -0.064825
N -1.370310 -2.586000 0.076884
C -1.908147 0.238403 -0.005800
C -2.981024 -0.717852 0.045216
C -0.573154 -0.333942 -0.012663
C -2.204886 1.632061 -0.045321
C -4.330852 -0.252777 0.055006
C -3.538434 2.065832 -0.034692
C -2.634079 -2.117881 0.084830
C -4.605285 1.120005 0.015531
C 5.351985 0.589149 -0.154677
C 2.917329 0.604577 -0.110618
C 6.472546 -0.444355 -0.136452
H -1.402283 2.377633 -0.084171
H -5.146165 -0.984154 0.093896
H -3.764451 3.136934 -0.065090
H -3.413344 -2.886349 0.124909
H -5.641556 1.474510 0.023064
H 0.604441 1.469661 -0.092879
H 1.734691 -1.215785 -0.028013
H 5.357540 1.204306 -1.072570
H 5.385727 1.266409 0.717776
H 7.451426 0.067796 -0.169790
H 6.430630 -1.055516 0.781152
H 6.402495 -1.117958 -1.007454


