%chk=000026149.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026149

0 1
 O    1.201600     -0.1321000     -0.8533000    
 O    3.061100     -0.5373000       1.302200    
 O   0.9402000      -2.809600      -1.538700    
 O   -6.115400       1.240400      0.9198000    
 N   -1.978100      -1.085900     -4.0899999E-02
 C    1.008900      -1.137900      0.1567000    
 C   0.1707000      -2.239800     -0.4804000    
 C    2.374400      -1.624300      0.6576000    
 C   -1.153600      -1.730400      -1.053800    
 C    2.277300      -2.747400       1.683300    
 C    2.123900      0.8092000     -0.4843000    
 C    3.018900      0.6166000      0.5679000    
 C   -3.212600     -0.5750000     -0.6215000    
 C   -4.058900      0.1064000      0.4490000    
 C    2.151800       1.995600      -1.217600    
 C    3.914100       1.627800      0.9183000    
 C   -5.367800      0.6323000     -0.1243000    
 C    3.056000       3.001500     -0.8759000    
 C    3.932500       2.820000      0.1942000    
 C   -7.344900       1.769800      0.4418000    
 H   0.4552000     -0.6756000      0.9858000    
 H  -4.8900001E-02  -3.033800      0.2426000    
 H    3.012700      -1.954000     -0.1731000    
 H   -1.689000      -2.581000      -1.496000    
 H  -0.9540000      -1.042700      -1.885800    
 H    3.264400      -2.960100       2.108900    
 H    1.892200      -3.672500       1.246500    
 H    1.632500      -2.457100       2.520200    
 H   -2.190800      -1.748300      0.7042000    
 H   -2.984200      0.1502000      -1.411900    
 H   -3.785900      -1.394300      -1.072200    
 H    1.605200      -3.397200      -1.142500    
 H   -4.280500     -0.5925000       1.266200    
 H   -3.504200      0.9358000      0.9067000    
 H    1.466400       2.148200      -2.046800    
 H    4.605800       1.490800       1.744900    
 H   -5.164200       1.370900     -0.9085000    
 H   -5.948100     -0.1914000     -0.5566000    
 H    3.074800       3.928800      -1.441100    
 H    4.632800       3.606000      0.4610000    
 H   -7.876200       2.220400       1.284300    
 H   -7.967600      0.9741000      2.1600001E-02
 H   -7.162800       2.543500     -0.3103000    


%chk=000026149-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026149

0 1
O 1.405176 -0.306523 -1.042529
O 2.772536 -0.316257 1.519535
O 1.145389 -2.979537 -1.580735
O -6.092770 0.896867 1.173646
N -2.064749 -1.496303 -0.256435
C 0.948660 -1.171246 0.089672
C 0.242998 -2.348757 -0.608082
C 2.164136 -1.559985 0.950910
C -1.076872 -1.895978 -1.280155
C 1.819235 -2.432218 2.156149
C 2.281121 0.737435 -0.665720
C 2.937322 0.733279 0.594632
C -3.169139 -0.631806 -0.731108
C -4.102523 -0.257540 0.436922
C 2.489336 1.794768 -1.572966
C 3.777670 1.809150 0.949071
C -5.257222 0.647143 -0.005026
C 3.343438 2.862985 -1.221097
C 3.978960 2.874203 0.044735
C -7.220800 1.775481 0.876329
H 0.211803 -0.610046 0.696968
H 0.023019 -3.138945 0.131588
H 2.923683 -2.048171 0.307724
H -1.416799 -2.720806 -1.947552
H -0.866732 -1.017928 -1.919327
H 2.690716 -2.481136 2.830428
H 1.571724 -3.459666 1.840315
H 0.968425 -2.011505 2.720505
H -2.428240 -2.309191 0.261423
H -2.718556 0.285945 -1.158894
H -3.768949 -1.106927 -1.548493
H 1.526663 -2.242503 -2.128711
H -4.532717 -1.173873 0.888592
H -3.518798 0.250580 1.225209
H 1.972069 1.770059 -2.537527
H 4.267797 1.787002 1.927523
H -4.869865 1.610570 -0.410183
H -5.861390 0.157432 -0.803885
H 3.504751 3.683663 -1.927594
H 4.634468 3.705148 0.325324
H -7.775280 1.899157 1.819902
H -7.893854 1.333302 0.109874
H -6.880139 2.770778 0.517244


