%chk=000041946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041946

0 1
 O   -3.290700     -0.1263000      0.5975000    
 O    1.375800       3.118400      0.1240000    
 O    3.737100      -2.341400       1.299600    
 O   -3.222600      8.0899999E-02  -1.694000    
 N    3.177700       1.735200      0.2139000    
 N    3.768600      0.5184000      0.1805000    
 C   0.9700000      0.7991000     -0.1183000    
 C    1.557000     -0.4627000     -0.1557000    
 C  -0.4131000      0.9406000     -0.2659000    
 C   -1.206000     -0.1912000     -0.4514000    
 C  -0.6201000      -1.456300     -0.4886000    
 C   0.7612000      -1.596100     -0.3411000    
 C    3.023400     -0.5281000      7.6000001E-03
 C    1.827900       1.978400      7.9099998E-02
 C   -1.095900       2.273500     -0.2335000    
 C   -1.447100      -2.686000     -0.6858000    
 C   -2.652400     -6.3800000E-02 -0.6085000    
 C    3.709200      -1.873400     -2.6200000E-02
 C   -4.717800     -1.4100000E-02  0.5748000    
 C   -5.242200     -0.1050000       1.991900    
 H    1.186400      -2.593500     -0.3579000    
 H   -2.180400       2.240700     -0.3654000    
 H  -0.9376000       2.759200      0.7355000    
 H  -0.7270000       2.910700      -1.044700    
 H  -0.8332000      -3.592900     -0.7111000    
 H   -2.163400      -2.802300      0.1341000    
 H   -1.988400      -2.636900      -1.636500    
 H    4.737500      -1.757300     -0.3857000    
 H    3.221600      -2.598200     -0.6784000    
 H    3.821200       2.507800      0.3530000    
 H   -4.999700      0.9489000      0.1352000    
 H   -5.136600     -0.8265000     -2.9300001E-02
 H    4.319000      -1.753600       1.811200    
 H   -6.332500     -2.2800000E-02   2.011600    
 H   -4.950700      -1.055800       2.450300    
 H   -4.816100      0.6906000       2.612100    


%chk=000041946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041946

0 1
O -3.330420 0.021839 0.636276
O 1.305145 3.223169 0.419980
O 3.607314 -2.767960 0.770876
O -3.304002 -0.768615 -1.552574
N 3.122082 1.807308 0.337533
N 3.819348 0.630378 0.191842
C 0.930802 0.815523 -0.024241
C 1.630807 -0.435227 -0.150487
C -0.498235 0.859578 -0.151111
C -1.186544 -0.361532 -0.378190
C -0.499121 -1.613521 -0.509449
C 0.898637 -1.628594 -0.385481
C 3.089829 -0.463847 -0.050357
C 1.724456 2.036266 0.250240
C -1.249401 2.176990 -0.090164
C -1.251895 -2.905583 -0.760570
C -2.684580 -0.386856 -0.530230
C 3.901939 -1.730199 -0.238116
C -4.829957 0.033788 0.589973
C -5.305176 0.490186 1.964843
H 1.434460 -2.580025 -0.437907
H -2.315210 2.047454 -0.328281
H -1.167495 2.634644 0.910892
H -0.807280 2.911122 -0.783573
H -0.566221 -3.768039 -0.745421
H -2.033048 -3.075502 0.003939
H -1.766899 -2.878057 -1.737102
H 4.973188 -1.453996 -0.236733
H 3.658296 -2.220303 -1.195900
H 3.700965 2.630669 0.524801
H -5.143791 0.717391 -0.219756
H -5.175093 -0.983881 0.333057
H 3.832532 -2.413435 1.668068
H -6.409852 0.518677 1.987430
H -4.958960 -0.201377 2.751600
H -4.926522 1.499769 2.198191


