%chk=000033175.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033175

0 1
 O  -0.4912000       1.258500      0.8118000    
 O   -2.255200      -2.614500      0.8892000    
 O   0.3211000     -0.2628000       2.283300    
 N    1.955300     -0.7831000     -0.1299000    
 N   -2.164300      -1.461100      -1.127100    
 C   0.4916000     -0.7136000     -0.1112000    
 C  -0.1007000      -2.123900     -5.0999999E-02
 C    2.530600      0.5509000     -0.1772000    
 C   -1.617600      -2.100200     -2.7000001E-02
 C    4.031400      0.5150000     -0.1997000    
 C   0.1089000      8.0399998E-02   1.127100    
 C   -3.588500      -1.324800      -1.324200    
 C   -4.122700     -6.3699998E-02 -0.7090000    
 C    4.737500      0.5327000      0.9976000    
 C    4.700000      0.4639000      -1.417200    
 C   -4.566700     -7.5999998E-02  0.6082000    
 C   -4.167800       1.103500      -1.462400    
 C    6.131900      0.4992000      0.9769000    
 C    6.094300      0.4302000      -1.437800    
 C    6.810200      0.4478000     -0.2407000    
 C   -5.062900       1.095600       1.180000    
 C   -4.663900       2.275000     -0.8903000    
 C   -5.111300       2.271000      0.4308000    
 H   0.1410000     -0.1861000      -1.005700    
 H   0.2132000      -2.712400     -0.9220000    
 H   0.2417000      -2.657000      0.8451000    
 H    2.253600      -1.316800     -0.9464000    
 H    2.241800       1.164800      0.6842000    
 H    2.175200       1.091700      -1.064900    
 H   -3.773900      -1.334900      -2.404500    
 H   -4.100600      -2.200400     -0.9076000    
 H   -1.556000      -1.098000      -1.854100    
 H    4.219900      0.5702000       1.952200    
 H    4.152800      0.4478000      -2.355700    
 H   -4.537300     -0.9852000       1.201800    
 H   -3.819700       1.118600      -2.491500    
 H    6.689400      0.5122000       1.908900    
 H    6.622600      0.3897000      -2.385800    
 H    7.895900      0.4213000     -0.2569000    
 H  -0.7295000       1.772900       1.612300    
 H   -5.411800       1.092400       2.208500    
 H   -4.701100       3.190700      -1.473400    
 H   -5.497400       3.183300      0.8761000    


%chk=000033175-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033175

0 1
O -0.716686 1.598220 -0.250856
O -1.895755 -3.059921 -0.284146
O 0.760718 1.239757 1.507905
N 2.198727 -0.517284 -0.302234
N -2.191340 -0.821469 -0.851693
C 0.758639 -0.317230 -0.461029
C 0.027975 -1.614138 0.009664
C 3.094998 0.522336 -0.844434
C -1.433618 -1.880027 -0.394895
C 4.542186 0.262923 -0.444788
C 0.325281 0.887050 0.399839
C -3.608351 -0.988234 -1.223550
C -4.521300 -0.009656 -0.491684
C 4.862620 -0.035691 0.904936
C 5.584629 0.338727 -1.400167
C -4.445134 0.131557 0.918545
C -5.473611 0.759005 -1.204949
C 6.203917 -0.250418 1.289273
C 6.929601 0.127408 -1.015726
C 7.242505 -0.168017 0.330516
C -5.304618 1.021035 1.599231
C -6.338124 1.648753 -0.525704
C -6.255169 1.783725 0.878695
H 0.454440 -0.086268 -1.510858
H 0.588359 -2.479062 -0.393476
H 0.101555 -1.695301 1.110403
H 2.509013 -1.473591 -0.499203
H 2.771183 1.495255 -0.420420
H 3.024743 0.620151 -1.955040
H -3.729585 -0.866264 -2.317755
H -3.863603 -2.036509 -0.977408
H -1.801886 0.129447 -0.865080
H 4.048760 -0.099873 1.635584
H 5.345399 0.562701 -2.447523
H -3.714629 -0.464149 1.478888
H -5.539888 0.661385 -2.295973
H 6.441829 -0.478400 2.334583
H 7.727823 0.188689 -1.764149
H 8.283459 -0.334501 0.629979
H -1.040876 2.338055 0.330420
H -5.239922 1.115709 2.689189
H -7.070984 2.235781 -1.090717
H -6.923479 2.473135 1.406610


