%chk=000042111.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042111

0 1
 O   0.9759000      -1.169500     -0.1171000    
 O  -0.2557000       2.512200       1.517000    
 O   -2.878400     -0.7549000      -1.322800    
 N    2.373100       2.018100      0.3714000    
 N   -1.074400      0.8618000      9.7800002E-02
 N  -0.2721000      -4.037100       1.845100    
 N   -1.129200      -5.113000       1.461700    
 C    3.147400      2.1100000E-02 -0.2528000    
 C    1.749300     -7.8100003E-02 -7.3000002E-03
 C    3.513400       1.346500     -7.8999996E-03
 C    1.301800       1.165500      0.3748000    
 C    4.139800     -0.8920000     -0.6610000    
 C    4.827300       1.806000     -0.1515000    
 C  -2.3900000E-02   1.568900      0.7272000    
 C   0.8245000      -2.000900       1.043500    
 C    5.458300     -0.4466000     -0.8087000    
 C    5.794500      0.8821000     -0.5574000    
 C   -2.475600       1.046000      0.2106000    
 C  -0.1028000      -3.155500      0.6997000    
 C   -3.338700      0.2323000     -0.5032000    
 C   -2.947400       2.047700       1.042300    
 C   -4.714800      0.4259000     -0.3818000    
 C   -4.323600       2.241100       1.163400    
 C   -5.207100       1.430400      0.4514000    
 C   -3.231900     -0.6688000      -2.701400    
 C   -2.129400      -1.289300      -3.532800    
 H    2.336000       2.999100      0.6124000    
 H    3.892000      -1.930700     -0.8601000    
 H    5.090000       2.840200      4.4000000E-02
 H    1.810600      -2.375500       1.344900    
 H   0.4073000      -1.405700       1.865100    
 H    6.227900      -1.146600      -1.123100    
 H    6.824900       1.206700     -0.6784000    
 H  -0.8079000      0.1155000     -0.5414000    
 H   0.3100000      -3.697500     -0.1618000    
 H   -1.069300      -2.747400      0.3753000    
 H   -2.342500       2.720300       1.629300    
 H   -5.416100     -0.2032000     -0.9232000    
 H   -4.708800       3.022500       1.812300    
 H   0.6311000      -4.412700       2.132000    
 H   -6.278600       1.579800      0.5473000    
 H   -4.169700      -1.211400      -2.862300    
 H   -3.370000      0.3753000      -3.009000    
 H   -2.373200      -1.250700      -4.598200    
 H   -1.181700     -0.7660000      -3.367200    
 H   -1.969900      -2.333500      -3.244000    
 H   -1.307100      -5.697400       2.277500    
 H  -0.6455000      -5.710300      0.7914000    


%chk=000042111-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042111

0 1
O 0.967559 -0.918135 -0.433057
O -0.101222 3.165612 0.990136
O -2.762216 -0.556265 -1.005417
N 2.458817 2.233413 0.531767
N -1.056776 1.181919 0.109593
N 0.178451 -4.403921 0.632975
N -0.895022 -5.305434 0.379398
C 3.265377 0.181796 -0.097703
C 1.820416 0.141541 -0.085469
C 3.631838 1.521134 0.307860
C 1.350670 1.408722 0.298498
C 4.289161 -0.748842 -0.426244
C 4.982539 1.927809 0.404930
C 0.006767 1.988407 0.497169
C 1.076383 -2.125141 0.435631
C 5.631272 -0.341794 -0.331725
C 5.974031 0.981409 0.085490
C -2.437188 1.490996 0.202805
C 0.072807 -3.138096 -0.121529
C -3.355680 0.565449 -0.389702
C -2.949537 2.650401 0.838834
C -4.745373 0.802624 -0.339825
C -4.342873 2.878793 0.887496
C -5.240346 1.961965 0.302485
C -3.650568 -1.430035 -1.803863
C -2.790669 -2.503529 -2.464262
H 2.342399 3.200370 0.837769
H 4.040078 -1.759139 -0.768178
H 5.250217 2.944067 0.713570
H 2.115568 -2.509947 0.401606
H 0.829758 -1.853619 1.478763
H 6.431959 -1.044740 -0.586182
H 7.030123 1.265661 0.150657
H -0.818826 0.273570 -0.318327
H 0.245736 -3.248892 -1.218766
H -0.950100 -2.754806 0.017614
H -2.243684 3.360347 1.272249
H -5.446889 0.096572 -0.792345
H -4.720013 3.779931 1.382250
H 1.115323 -4.833204 0.559892
H -6.320460 2.139854 0.338687
H -4.411066 -1.884170 -1.136714
H -4.169308 -0.807422 -2.561225
H -3.415370 -3.101160 -3.153481
H -1.972647 -2.043023 -3.044600
H -2.355610 -3.184975 -1.715520
H -1.259455 -5.740943 1.227867
H -0.806549 -5.934432 -0.428858


