%chk=000001189.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001189

0 1
 O    1.743200      6.2399998E-02   1.061600    
 O    2.994800       2.518300     -0.7083000    
 O    1.704500     -0.6137000      -1.869100    
 O    3.154800      -2.277300       1.716300    
 O   -4.543600      0.3014000     -3.0600000E-02
 O   -1.442200      -3.130000     -0.5465000    
 N  -0.1639000       1.324200      0.4360000    
 N  -0.6377000      -1.021500     -6.9600001E-02
 N   -2.258500       2.112800      0.4730000    
 N   -2.980900      -1.412800     -0.2877000    
 C    1.298000       1.318800      0.5199000    
 C    1.988300       1.516200     -0.8326000    
 C    2.626800      0.1713000      -1.124300    
 C    2.851800     -0.3987000      0.2717000    
 C    2.934200      -1.911200      0.3637000    
 C  -0.9859000      0.2756000      0.1742000    
 C  -0.9807000       2.416000      0.6101000    
 C   -2.258100      0.7742000      0.2007000    
 C   -3.381400     -8.6700000E-02 -4.1400000E-02
 C   -1.663500      -1.939100     -0.3172000    
 H    1.570400       2.101600       1.238000    
 H    1.293900       1.843600      -1.614100    
 H    3.560100      0.2432000      -1.691700    
 H    3.747400      4.9600001E-02  0.7213000    
 H    3.767800      -2.286500     -0.2383000    
 H    2.016200      -2.406800      4.1099999E-02
 H  -0.5887000       3.399300      0.8318000    
 H    3.442200       2.589100      -1.568800    
 H    2.155400      -1.437600      -2.120000    
 H   0.3330000      -1.299500     -7.5400002E-02
 H    3.221000      -3.247100       1.743800    
 H   -3.728100      -2.078000     -0.4673000    


%chk=000001189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001189

0 1
O 1.867602 -0.002833 1.073388
O 2.790366 2.349311 -1.114251
O 1.715716 -1.111959 -1.727961
O 3.747909 -1.983629 2.091737
O -4.697105 0.197589 0.561830
O -1.806756 -2.594228 -1.862173
N -0.111524 1.224569 0.557543
N -0.847905 -0.776403 -0.744811
N -2.155115 1.883381 1.361281
N -3.186113 -1.145878 -0.623156
C 1.333399 1.207963 0.417254
C 1.892168 1.197770 -1.047519
C 2.674206 -0.139953 -1.169432
C 3.061275 -0.440023 0.295773
C 3.336499 -1.891856 0.692763
C -1.051096 0.317997 0.066809
C -0.850704 2.150393 1.351529
C -2.301445 0.733808 0.560651
C -3.505462 -0.016226 0.222476
C -1.944391 -1.577282 -1.127607
H 1.725028 2.118141 0.908980
H 1.092134 1.246024 -1.809592
H 3.554285 -0.043133 -1.831328
H 3.926861 0.197017 0.573327
H 4.190057 -2.291564 0.117231
H 2.435116 -2.509097 0.497310
H -0.358768 2.971610 1.868241
H 3.005896 2.563603 -2.056048
H 2.139879 -1.977064 -1.944459
H 0.089520 -1.040885 -1.117076
H 3.015899 -1.621655 2.654289
H -3.986830 -1.724408 -0.896698


