%chk=000049196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049196

0 1
 O    1.007200      0.2662000      -2.217800    
 O  -0.2627000      0.1768000       2.302200    
 O    1.105700      -3.650100      0.1716000    
 N   0.9616000      -1.707100      -1.048900    
 N   0.3266000      -1.752000       1.208800    
 C  -0.2113000      0.2381000     -0.1214000    
 C   -1.677600      2.4100000E-02 -0.5378000    
 C   7.0600003E-02   1.743700     -1.2400000E-02
 C   -2.610300      0.5741000      0.5529000    
 C   0.6577000     -0.3649000      -1.220600    
 C  -3.5700001E-02 -0.4138000       1.246500    
 C   -1.922200      0.6708000      -1.899900    
 C    1.520300       2.030900      0.2591000    
 C   -4.086100      0.3501000      0.2555000    
 C   0.8025000      -2.457400      0.1101000    
 C    1.956500       2.073500       1.695400    
 C    2.397200       2.197100     -0.7432000    
 H   -1.878300      -1.051600     -0.6430000    
 H  -0.5123000       2.232600      0.7757000    
 H  -0.1857000       2.280400     -0.9322000    
 H   -2.479500       1.649100      0.7052000    
 H   -2.442200      7.8400001E-02   1.511800    
 H   -1.904100       1.763300      -1.877200    
 H   -2.929100      0.4054000      -2.245700    
 H   -1.267800      0.3121000      -2.695600    
 H   -4.693100      0.6504000       1.116200    
 H   -4.291700     -0.7052000      5.0099999E-02
 H   -4.419700      0.9436000     -0.6009000    
 H    1.421300      -2.171700      -1.827000    
 H   0.3185000      -2.249600       2.094800    
 H    2.914200       2.595700       1.802900    
 H    1.231600       2.616100       2.310500    
 H    2.093500       1.067700       2.099900    
 H    2.103500       2.237000      -1.784200    
 H    3.447700       2.376300     -0.5347000    


%chk=000049196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049196

0 1
O 0.880376 0.308467 -2.488490
O -0.094986 -0.036743 2.205615
O 1.074860 -3.768361 -0.287659
N 0.844647 -1.719073 -1.393283
N 0.397420 -1.879489 0.914431
C -0.160976 0.274176 -0.245884
C -1.744358 0.108863 -0.567453
C 0.241784 1.773282 -0.072922
C -2.639254 0.794200 0.507666
C 0.581423 -0.335119 -1.450245
C 0.074941 -0.513760 1.053056
C -2.116356 0.612778 -1.983206
C 1.657348 2.021122 0.474815
C -4.044351 0.155257 0.588915
C 0.783237 -2.547489 -0.259860
C 1.735512 2.575612 1.886429
C 2.775014 1.811718 -0.273833
H -1.948047 -0.983182 -0.527195
H -0.488506 2.242001 0.606477
H 0.141965 2.246280 -1.065782
H -2.739889 1.869183 0.260519
H -2.165404 0.739001 1.504069
H -1.815620 1.664974 -2.128917
H -3.211973 0.554172 -2.109539
H -1.653612 0.018691 -2.788043
H -4.666522 0.679414 1.336623
H -3.980718 -0.906846 0.891716
H -4.578617 0.199808 -0.377792
H 1.226053 -2.152643 -2.240480
H 0.435663 -2.434617 1.775567
H 2.780629 2.712707 2.213213
H 1.228326 3.559964 1.941504
H 1.217791 1.909266 2.599983
H 2.727286 1.469807 -1.312783
H 3.771715 2.006680 0.139465


