%chk=000124975.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124975

1 1
 O    3.768800     -0.5467000      0.6436000    
 O   -2.529900      0.5444000      0.3240000    
 O   -3.654400      -1.284400     -0.5293000    
 N    1.166200      0.3566000     -0.2228000    
 C    1.394200     -0.9972000      0.4592000    
 C    2.294100       1.317900      0.1698000    
 C  -0.1621000      0.9352000      0.2750000    
 C    1.060300      0.2083000      -1.739300    
 C    2.805800      -1.499600      0.1996000    
 C    3.653300      0.6804000     -7.2999999E-02
 C   -1.290200     -4.1000000E-03 -0.1035000    
 C   -3.640000     -0.2042000      4.5299999E-02
 C   -4.866000      0.4935000      0.5515000    
 H   0.6791000      -1.726900      7.0600003E-02
 H    1.237800     -0.8441000       1.533300    
 H    2.166500       1.530100       1.237900    
 H    2.166600       2.241400     -0.4049000    
 H  -0.1010000       1.064100       1.362300    
 H  -0.2959000       1.927200     -0.1734000    
 H    2.056300      4.7499999E-02  -2.156000    
 H   0.4500000     -0.6636000      -1.986900    
 H   0.6404000       1.128300      -2.156900    
 H    2.973700      -2.423400      0.7627000    
 H    2.975800      -1.731700     -0.8579000    
 H    3.868600      0.5136000      -1.133100    
 H    4.434400       1.349700      0.3029000    
 H   -1.367100     -0.1457000      -1.184300    
 H   -1.190000     -0.9771000      0.3846000    
 H   -4.971100       1.462700      5.7599999E-02
 H   -4.800200      0.6181000       1.635200    
 H   -5.748100     -0.1116000      0.3230000    


%chk=000124975-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124975

1 1
O 3.854537 -0.411652 0.769796
O -2.553426 0.542929 0.340342
O -3.855885 -1.156463 -0.570106
N 1.166185 0.251657 -0.295270
C 1.507326 -1.090980 0.402459
C 2.199942 1.318581 0.165774
C -0.225155 0.747051 0.160137
C 1.198371 0.106465 -1.815341
C 2.988830 -1.466536 0.237222
C 3.650370 0.831716 0.022426
C -1.395248 -0.158139 -0.248912
C -3.809961 -0.102504 0.088521
C -4.935628 0.672319 0.715852
H 0.847829 -1.869615 -0.014833
H 1.276350 -0.946615 1.471538
H 1.979502 1.515511 1.228350
H 2.012397 2.233255 -0.422994
H -0.193939 0.837598 1.259084
H -0.364111 1.754372 -0.269134
H 2.228176 -0.074641 -2.150478
H 0.564947 -0.740046 -2.116757
H 0.821092 1.036330 -2.268219
H 3.195508 -2.363558 0.842019
H 3.249362 -1.694300 -0.817664
H 3.953483 0.706660 -1.037973
H 4.319104 1.576573 0.482134
H -1.532032 -0.237355 -1.342182
H -1.330242 -1.178950 0.169823
H -4.964151 1.700597 0.315958
H -4.787615 0.749475 1.806894
H -5.890019 0.168964 0.508333


