%chk=000093603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093603

0 1
 O   -2.263800      -2.531700      0.2739000    
 O    5.834100      0.3252000     -0.1554000    
 O    3.771900       1.353100     -4.9400002E-02
 N   -4.443800      0.4100000      -1.103700    
 N   -2.517400     -0.2082000      0.1745000    
 C   -4.271900       1.961000      0.7133000    
 C   -3.995800     -0.2706000      0.1315000    
 C   -4.562000      0.5727000       1.263900    
 C   -4.758000       1.807600     -0.7312000    
 C   -2.756200       2.209600      0.8081000    
 C   -1.915500       1.138800      9.8700002E-02
 C   -5.588000     -0.2544000      -1.718100    
 C   -1.784900      -1.400200      0.2109000    
 C  -0.3177000      -1.315200      0.1629000    
 C   0.4094000      -1.216100       1.346000    
 C   0.3367000      -1.336000      -1.065900    
 C    1.801300      -1.137200       1.300000    
 C    1.728500      -1.257100      -1.111800    
 C    2.460900      -1.157700      7.1099997E-02
 C    3.949100      -1.072200      2.2600001E-02
 C    4.470800      0.3489000     -6.2899999E-02
 C    6.468200       1.605400     -0.2422000    
 C    7.944200       1.424300     -0.3370000    
 H   -4.820300       2.740700       1.250900    
 H   -4.329900      -1.311400      0.1961000    
 H   -4.078000      0.3847000       2.228100    
 H   -5.641500      0.4151000       1.377200    
 H   -5.838000       2.001000     -0.7654000    
 H   -4.268900       2.511800      -1.412100    
 H   -2.476000       2.225500       1.869400    
 H   -2.504600       3.196900      0.4040000    
 H   -1.827400       1.380200     -0.9677000    
 H  -0.9013000       1.144900      0.5056000    
 H   -6.448400     -0.3160000      -1.042300    
 H   -5.317900      -1.271000      -2.024200    
 H   -5.896700      0.2774000      -2.624700    
 H  -9.5600002E-02  -1.198600       2.308200    
 H  -0.2254000      -1.412100      -1.992900    
 H    2.360100      -1.057600       2.228800    
 H    2.230200      -1.271700      -2.075700    
 H    4.378000      -1.541300      0.9165000    
 H    4.322200      -1.628400     -0.8462000    
 H    6.098800       2.131600      -1.129800    
 H    6.220500       2.192200      0.6497000    
 H    8.458000       2.387500     -0.4049000    
 H    8.328200      0.8854000      0.5357000    
 H    8.208500      0.8259000      -1.215500    


%chk=000093603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093603

0 1
O -2.273495 -2.116037 1.268048
O 6.037286 0.241530 -0.278981
O 4.192235 1.269446 0.708125
N -4.710026 0.272059 -0.987226
N -2.602105 -0.096122 0.166092
C -4.525689 1.994168 0.655096
C -4.093769 -0.280289 0.232418
C -4.633886 0.619777 1.371202
C -5.183018 1.655256 -0.713970
C -3.019289 2.354439 0.521167
C -2.205092 1.270974 -0.249494
C -5.534924 -0.588705 -1.836732
C -1.784459 -1.103804 0.654997
C -0.295856 -1.011302 0.422934
C 0.570162 -1.447850 1.456393
C 0.264826 -0.621748 -0.820573
C 1.965892 -1.456464 1.264251
C 1.661387 -0.652344 -1.014665
C 2.531173 -1.057117 0.027607
C 4.034306 -1.060764 -0.178543
C 4.703705 0.278623 0.145118
C 6.849332 1.468516 -0.003458
C 8.240692 1.211509 -0.572461
H -5.067909 2.803831 1.173740
H -4.282077 -1.355562 0.372382
H -4.034865 0.543850 2.293282
H -5.685509 0.365207 1.600391
H -6.294458 1.701494 -0.626287
H -4.877495 2.355997 -1.516724
H -2.600005 2.478941 1.538573
H -2.895225 3.319115 -0.007865
H -2.396683 1.379495 -1.333764
H -1.128662 1.412537 -0.067911
H -6.551742 -0.790723 -1.418013
H -5.029001 -1.556988 -1.993971
H -5.671228 -0.121784 -2.830531
H 0.129399 -1.794165 2.396752
H -0.391941 -0.327816 -1.646942
H 2.623539 -1.781745 2.079330
H 2.078822 -0.361310 -1.986457
H 4.520543 -1.823430 0.459586
H 4.302385 -1.321003 -1.218687
H 6.347317 2.330740 -0.478466
H 6.861394 1.637812 1.088630
H 8.887402 2.089261 -0.390726
H 8.706178 0.332509 -0.094768
H 8.195130 1.032687 -1.660302


