%chk=000159888.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159888

0 1
 O   0.7392000      0.4237000      -2.076000    
 O    3.448400     -0.9532000      -1.734100    
 O   -2.900600      -2.979700      0.2047000    
 O   -4.989100      -1.802600     -3.0099999E-02
 O    5.087000      -1.585100     -8.2300000E-02
 N  -0.3536000       2.619100     -0.4325000    
 C  -0.1947000       1.227900      6.6699997E-02
 C   0.4503000       1.098000       1.492300    
 C   -1.515300      0.4374000      2.0500001E-02
 C   0.8276000      0.5569000     -0.8675000    
 C   -1.492600       3.287200      0.2053000    
 C    1.744200      0.3782000       1.254100    
 C   -2.753800       1.121800     -9.4499998E-02
 C    1.956700      7.4299999E-02 -8.6400002E-02
 C   -2.789900       2.619300     -0.2392000    
 C   -1.519600     -0.9684000      0.1364000    
 C   0.8385000       3.465500     -0.3492000    
 C    3.089700     -0.5825000     -0.4814000    
 C   -3.965600      0.4099000     -0.1284000    
 C    2.688900      1.5400000E-02   2.215900    
 C   -2.728900      -1.632900      0.1094000    
 C   -3.918700     -0.9627000     -2.2000000E-02
 C    4.019900     -0.9400000      0.4666000    
 C    3.850800     -0.6574000       1.815700    
 C    4.717400      -1.589500      -1.477300    
 C   -4.336300      -3.080500      0.1135000    
 H  -0.1776000      0.5253000       2.184900    
 H   0.6470000       2.064900       1.964400    
 H   -1.544200       4.342100     -9.2799999E-02
 H   -1.401800       3.269100       1.299000    
 H   -2.984400       2.856000      -1.293200    
 H   -3.617000       3.030700      0.3521000    
 H  -0.5991000      -1.531500      0.2489000    
 H   0.6617000       4.407800     -0.8815000    
 H    1.702100       3.007700     -0.8412000    
 H    1.116700       3.718500      0.6784000    
 H   -4.914400      0.9258000     -0.2347000    
 H    2.529200      0.2499000       3.263800    
 H    4.597500     -0.9488000       2.546700    
 H    5.493900      -1.066800      -2.047500    
 H    4.665500      -2.628300      -1.823000    
 H   -4.712500      -3.567000       1.020800    
 H   -4.590400      -3.703900     -0.7516000    


%chk=000159888-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159888

0 1
O 0.638425 0.452957 -2.122863
O 3.522446 -1.015846 -1.752882
O -2.958443 -3.003877 0.371057
O -5.046587 -1.865971 0.065761
O 5.198444 -1.584683 -0.123810
N -0.389373 2.657422 -0.330996
C -0.221270 1.251391 0.106975
C 0.456741 1.090440 1.535895
C -1.564218 0.497568 0.062454
C 0.802888 0.551623 -0.884330
C -1.559340 3.331643 0.263089
C 1.787545 0.394619 1.297703
C -2.801181 1.172154 -0.112139
C 1.952093 0.070754 -0.086113
C -2.839540 2.682148 -0.284379
C -1.532039 -0.921744 0.229353
C 0.839786 3.465294 -0.371560
C 3.123675 -0.597518 -0.471693
C -4.027787 0.441898 -0.129966
C 2.769309 0.060088 2.248776
C -2.739905 -1.609723 0.194927
C -3.968906 -0.941016 0.014971
C 4.101272 -0.929191 0.491285
C 3.958485 -0.616453 1.847203
C 4.826605 -1.717153 -1.557111
C -4.392903 -3.201557 0.037979
H -0.183896 0.496867 2.211714
H 0.595261 2.079249 2.014059
H -1.523799 4.397375 -0.027187
H -1.558739 3.295534 1.382437
H -2.918948 2.929142 -1.360905
H -3.730806 3.102287 0.220882
H -0.588785 -1.458481 0.368301
H 0.611517 4.436013 -0.846163
H 1.602316 2.964267 -0.992916
H 1.294908 3.676803 0.628002
H -4.983656 0.959044 -0.254691
H 2.627860 0.312677 3.304571
H 4.735559 -0.886463 2.567072
H 5.590607 -1.222021 -2.178211
H 4.692664 -2.785162 -1.802435
H -4.854307 -3.842202 0.804215
H -4.471879 -3.618597 -0.984632


