%chk=000038741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038741

0 1
 O    2.934400       1.354500      0.1235000    
 O   -3.809700     -0.2190000      -1.040800    
 O    2.521800     -0.7414000      0.9404000    
 N    6.514600      0.4477000     -0.2170000    
 N   0.8463000      0.5358000     -9.0000004E-02
 C    6.727400     -0.7216000      0.6354000    
 C    7.373800      0.2306000      -1.380600    
 C    8.233300     -0.9279000      0.5624000    
 C    8.658500     -0.2989000     -0.7609000    
 C    5.116800      0.6214000     -0.5832000    
 C    4.296600       1.240200      0.5513000    
 C    4.774400       2.632400      0.9442000    
 C   -7.400600     -0.1333000      6.1299998E-02
 C   -8.547500      0.8694000     -9.3999997E-02
 C   -6.096500      0.3302000     -0.5859000    
 C    2.131000      0.2755000      0.3804000    
 C   -9.845800      0.4165000      0.5751000    
 C   -4.996400     -0.7120000     -0.4343000    
 C   -10.97110       1.410500      0.3308000    
 C  -0.2822000     -0.2830000     -3.8300000E-02
 C   -2.620400     -0.6563000     -0.5181000    
 C   -1.492300      0.1625000     -0.5700000    
 C  -0.2001000      -1.547200      0.5455000    
 C   -2.538200      -1.920600      6.5499999E-02
 C   -1.328200      -2.366000      0.5973000    
 H    6.402900     -0.5553000       1.667200    
 H    6.215200      -1.611200      0.2469000    
 H    6.952000     -0.5207000      -2.060600    
 H    7.549100       1.152800      -1.943600    
 H    8.737200     -0.4199000       1.393000    
 H    8.495600      -1.989600      0.6092000    
 H    9.150700      -1.025000      -1.415700    
 H    9.365400      0.5177000     -0.5727000    
 H    4.663800     -0.3203000     -0.9208000    
 H    5.042200       1.296800      -1.447300    
 H    4.354400      0.6184000       1.453300    
 H    4.735900       3.315200      8.8200003E-02
 H    5.795500       2.618900       1.336200    
 H    4.117300       3.056600       1.711400    
 H   -7.703300      -1.091400     -0.3793000    
 H   -7.228800     -0.3165000       1.129300    
 H   -8.241600       1.834400      0.3287000    
 H   -8.729600       1.036400      -1.163100    
 H   -5.768800       1.277100     -0.1394000    
 H   -6.255700      0.5392000      -1.651000    
 H   -9.687400      0.3032000       1.653600    
 H   -10.14190     -0.5641000      0.1851000    
 H   -4.855900     -0.8969000      0.6387000    
 H   -5.291200      -1.644800     -0.9288000    
 H   0.7155000       1.443900     -0.5292000    
 H   -11.88960       1.070100      0.8191000    
 H   -11.17510       1.517500     -0.7394000    
 H   -10.71760       2.396500      0.7330000    
 H   -1.564900       1.146900      -1.026600    
 H   0.7016000      -1.960400      0.9759000    
 H   -3.384700      -2.599800      0.1015000    
 H   -1.263400      -3.353200       1.046000    


%chk=000038741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038741

0 1
O 3.056414 1.394241 0.388618
O -3.806363 0.238121 0.029692
O 2.747870 -0.863227 1.015699
N 6.611585 0.422502 -0.445937
N 0.962586 0.559511 0.361948
C 6.882513 -0.794346 0.379839
C 7.418004 0.278134 -1.685113
C 8.323181 -1.245903 -0.018056
C 8.757800 -0.262013 -1.148651
C 5.185875 0.723687 -0.660732
C 4.529965 1.262676 0.631513
C 5.028607 2.647766 1.035688
C -7.602190 -0.148356 -0.027298
C -8.747352 0.854237 -0.295796
C -6.203174 0.498626 -0.148121
C 2.284791 0.238523 0.624893
C -10.152447 0.222028 -0.172797
C -5.080485 -0.494273 0.159016
C -11.290183 1.234397 -0.427700
C -0.181448 -0.276569 0.482074
C -2.620098 -0.456855 0.314436
C -1.439057 0.311922 0.210018
C -0.098473 -1.645800 0.858038
C -2.556605 -1.823426 0.686182
C -1.289665 -2.391414 0.951327
H 6.798946 -0.558455 1.456098
H 6.141585 -1.600160 0.159223
H 6.965792 -0.452772 -2.404201
H 7.513351 1.250389 -2.201505
H 9.019589 -1.210215 0.836764
H 8.307921 -2.286314 -0.388169
H 9.360339 -0.752254 -1.933001
H 9.347151 0.570940 -0.726916
H 4.614511 -0.176660 -0.999262
H 5.099527 1.496534 -1.448122
H 4.659796 0.528262 1.447541
H 4.750005 3.397934 0.273962
H 6.129603 2.616843 1.109109
H 4.606049 2.958926 2.006301
H -7.685219 -0.996817 -0.738417
H -7.727200 -0.578344 0.988761
H -8.664745 1.702818 0.414865
H -8.627810 1.286413 -1.311120
H -6.121954 1.354324 0.549519
H -6.058379 0.901509 -1.168908
H -10.266709 -0.217579 0.839254
H -10.237406 -0.620655 -0.889106
H -5.176298 -0.893431 1.190752
H -5.094357 -1.346205 -0.553071
H 0.809515 1.526800 0.068632
H -12.284059 0.758780 -0.337618
H -11.213881 1.668876 -1.442369
H -11.247527 2.068729 0.297682
H -1.527773 1.365580 -0.077975
H 0.872964 -2.093791 1.071373
H -3.458688 -2.434773 0.769719
H -1.231591 -3.446918 1.240224


