%chk=000088231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088231

0 1
 O    1.603100      8.9299999E-02  3.8400002E-02
 O   -4.595200      -1.879500      0.3050000    
 O   -6.245200      0.3492000      0.1134000    
 O  -0.1530000       2.085500     -9.7999997E-02
 O    2.234400      -2.113800      0.2552000    
 N    5.361500       1.454200     -0.2080000    
 C   -2.118100      0.7952000      3.6800001E-02
 C   -2.676000     -0.4774000      0.1590000    
 C  -0.6731000      0.9564000      9.2000002E-03
 C   -4.062000     -0.6316000      0.1853000    
 C   -2.946300       1.913600     -5.9200000E-02
 C   0.2371000     -0.2743000      0.1149000    
 C   -4.890100      0.4867000      8.9500003E-02
 C   -4.332300       1.759400     -3.2900002E-02
 C    3.896300     -0.4190000      3.0500000E-02
 C    2.505500     -0.9305000      0.1219000    
 C    4.953500      -1.294400      9.5700003E-02
 C    4.121400      0.9234000     -0.1185000    
 C    6.244600     -0.7860000      7.4000000E-03
 C   -4.859700      -2.589800     -0.9032000    
 C    6.393600      0.5833000     -0.1426000    
 H   -2.064000      -1.370800      0.2382000    
 H   -2.535800       2.915300     -0.1552000    
 H   5.2600000E-02 -0.7586000       1.080200    
 H   6.8000001E-03 -0.9481000     -0.7177000    
 H   -4.965900       2.639000     -0.1088000    
 H    4.810700      -2.364000      0.2135000    
 H    3.333000       1.665400     -0.1767000    
 H    7.107300      -1.440700      5.4299999E-02
 H   -6.654200       1.228200      3.5000000E-02
 H   -5.288900      -3.561200     -0.6426000    
 H   -5.578900      -2.044100      -1.522000    
 H   -3.932600      -2.755100      -1.461300    
 H    7.379700       1.029900     -0.2164000    


%chk=000088231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088231

0 1
O 1.728004 0.143554 -0.006269
O -4.461481 -2.078890 0.116443
O -6.249401 0.193098 0.011749
O -0.071612 2.118996 -0.136730
O 2.373918 -2.094648 0.135895
N 5.601735 1.570557 -0.036297
C -2.042144 0.726670 -0.076708
C -2.618476 -0.570507 -0.025442
C -0.565138 0.959637 -0.076876
C -4.015871 -0.758892 -0.018798
C -2.900075 1.857432 -0.137126
C 0.325706 -0.289469 0.000460
C -4.862333 0.391027 -0.053547
C -4.292610 1.686304 -0.127940
C 4.063381 -0.332165 0.058925
C 2.678126 -0.877385 0.068903
C 5.152614 -1.236575 0.136791
C 4.335996 1.060474 -0.025813
C 6.463647 -0.720667 0.127331
C -5.595911 -2.542422 -0.713014
C 6.638632 0.681462 0.039794
H -2.009716 -1.479359 0.015619
H -2.448863 2.852896 -0.185283
H 0.118361 -0.867739 0.921468
H 0.139327 -0.961321 -0.859532
H -4.953933 2.562537 -0.161811
H 4.950597 -2.310663 0.202545
H 3.514010 1.780127 -0.086517
H 7.333270 -1.382035 0.186010
H -6.727210 1.059896 0.021239
H -5.674635 -3.617746 -0.494232
H -6.526091 -2.018856 -0.443627
H -5.374338 -2.392130 -1.786857
H 7.642314 1.121905 0.029545


