%chk=000018385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018385

0 1
 O    4.547000     -8.1400000E-02  0.6177000    
 O    3.449400       2.214800     -0.1859000    
 N   -2.101600       1.843800     -0.1855000    
 N    1.373200       1.702900      0.7286000    
 C   -3.075000      0.7635000     -0.3325000    
 C   -4.243600      0.9801000      0.6350000    
 C   -2.395100     -0.5876000     -8.4600002E-02
 C   -5.245500     -0.1711000      0.5639000    
 C   -3.399100      -1.737000     -0.1542000    
 C   -4.570800      -1.519500      0.7991000    
 C   -1.007500       1.684500      -1.131100    
 C   2.1700000E-02   2.812000      -1.010800    
 C   0.6905000       2.912300      0.3588000    
 C    2.706900       1.448900      0.4248000    
 C    3.168700      8.3499998E-02  0.9169000    
 C    2.390700      -1.036200      0.2666000    
 C    2.189800      -2.216500      0.9637000    
 C    1.892300     -0.8613000      -1.014200    
 C    1.471200      -3.250500      0.3635000    
 C    1.173500      -1.895300      -1.614300    
 C   0.9631000      -3.089800     -0.9254000    
 H   -3.478400      0.7778000      -1.354500    
 H   -4.758600       1.920600      0.4037000    
 H   -3.870800       1.066700       1.664300    
 H   -1.898600     -0.5967000      0.8945000    
 H   -1.638700     -0.8155000     -0.8402000    
 H   -6.034600     -1.9099999E-02   1.308900    
 H   -5.730700     -0.1723000     -0.4200000    
 H   -3.776700      -1.831200      -1.180000    
 H   -2.897100      -2.680500      8.8799998E-02
 H   -4.212100      -1.571700       1.834500    
 H   -5.302800      -2.325200      0.6736000    
 H   -2.558400       2.743100     -0.3347000    
 H   -1.392000       1.678900      -2.158400    
 H  -0.4591000      0.7556000     -0.9790000    
 H  -0.4582000       3.771500      -1.240900    
 H   0.7921000       2.657000      -1.777100    
 H  -4.5499999E-02   3.125700       1.140600    
 H    1.410800       3.738000      0.3505000    
 H   0.8438000       1.006800       1.245600    
 H    3.049200      6.3900001E-02   2.006500    
 H    2.583000      -2.350700       1.967200    
 H    2.060500      4.3600000E-02  -1.589500    
 H    4.640500     -0.2372000     -0.3378000    
 H    1.307300      -4.180600      0.8997000    
 H   0.7813000      -1.772100      -2.619600    
 H   0.4035000      -3.894700      -1.392900    


%chk=000018385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018385

0 1
O 4.222007 -0.088283 1.163850
O 3.411260 2.210699 0.211897
N -1.820735 1.658029 -0.156255
N 1.129789 1.820002 0.509749
C -2.906128 0.635626 -0.189810
C -3.852888 0.854618 1.013041
C -2.329925 -0.799478 -0.162094
C -4.987339 -0.196640 1.044021
C -3.456400 -1.860224 -0.137538
C -4.418064 -1.635669 1.053351
C -1.039052 1.802666 -1.413062
C -0.080805 3.015353 -1.344113
C 0.676036 3.126452 0.007860
C 2.441983 1.455117 0.565492
C 2.771785 0.030330 1.111859
C 2.159779 -1.075476 0.254453
C 1.271718 -2.021644 0.817608
C 2.507562 -1.183757 -1.116837
C 0.730120 -3.060685 0.024654
C 1.964225 -2.214752 -1.911000
C 1.072208 -3.157661 -1.342402
H -3.513730 0.739985 -1.127343
H -4.283377 1.877190 0.971842
H -3.255243 0.790143 1.945258
H -1.700137 -0.899400 0.745071
H -1.667911 -0.974979 -1.030896
H -5.629046 -0.030756 1.930585
H -5.633744 -0.065935 0.151610
H -4.032071 -1.810636 -1.085377
H -3.012445 -2.873238 -0.089008
H -3.868113 -1.803085 2.002515
H -5.243717 -2.372763 1.024896
H -2.217191 2.570550 0.121721
H -1.694053 1.904541 -2.312573
H -0.444276 0.882044 -1.559200
H -0.642165 3.959024 -1.499147
H 0.643935 2.932536 -2.175106
H 0.017392 3.578086 0.772583
H 1.565964 3.768429 -0.100815
H 0.373800 1.164322 0.747063
H 2.371044 -0.045401 2.144664
H 1.020235 -1.960501 1.884250
H 3.216583 -0.468558 -1.549854
H 4.569516 0.778694 0.788769
H 0.052035 -3.795141 0.474336
H 2.240880 -2.293747 -2.968622
H 0.658198 -3.964228 -1.958044


