%chk=000089588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089588

0 1
 O   0.9071000      -1.383700     -0.5232000    
 O   -1.017300     -0.7562000       2.155900    
 N    5.118800      -1.303000      6.0400002E-02
 C   0.1786000      0.5703000      0.6457000    
 C    1.099300     -9.0000004E-02 -0.1348000    
 C    2.251000      0.5903000     -0.5306000    
 C   -1.062900     -0.1375000       1.082200    
 C   0.3466000       1.874900       1.052400    
 C    2.450400       1.912900     -0.1348000    
 C   -2.287900     -0.1172000      0.2991000    
 C    3.282200     -7.9999998E-02  -1.377500    
 C    1.498100       2.555100      0.6567000    
 C   -2.332500      0.5801000     -0.9082000    
 C   -3.418400     -0.7957000      0.7547000    
 C   -3.507500      0.5993000      -1.659700    
 C   -4.593400     -0.7765000      3.1999999E-03
 C   -4.637800     -7.9000004E-02  -1.204100    
 C    1.414000      -2.399200      0.3390000    
 C    4.311600     -0.7651000     -0.5765000    
 H  -0.3912000       2.379500       1.668900    
 H    3.343500       2.455200     -0.4340000    
 H    3.765000      0.6631000      -2.025400    
 H    2.812800     -0.7900000      -2.069000    
 H    1.653500       3.584800      0.9652000    
 H   -1.476600       1.120800      -1.300500    
 H   -3.410000      -1.346700       1.691500    
 H   -3.542700       1.142100      -2.599800    
 H   -5.473800      -1.304700      0.3575000    
 H   -5.552700     -6.4300001E-02  -1.789300    
 H   0.5726000      -2.979200      0.7286000    
 H    1.987200      -1.993900       1.180100    
 H    2.056100      -3.064600     -0.2448000    


%chk=000089588-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089588

0 1
O 1.412976 -1.674929 -0.617680
O -0.949645 -1.697976 1.223667
N 5.599440 -0.611462 0.781170
C 0.109654 0.235495 0.238756
C 1.335135 -0.321508 -0.234431
C 2.462608 0.514098 -0.465943
C -1.084682 -0.634190 0.543091
C 0.046684 1.629318 0.500675
C 2.374770 1.896029 -0.178840
C -2.443242 -0.205949 0.068055
C 3.738162 -0.084654 -1.059980
C 1.175179 2.453936 0.312367
C -2.622470 0.710770 -1.003586
C -3.585179 -0.786899 0.685081
C -3.921998 1.043125 -1.444144
C -4.880531 -0.445206 0.251900
C -5.052328 0.472033 -0.814481
C 1.865219 -2.630600 0.431039
C 4.768580 -0.377473 -0.043106
H -0.888531 2.060182 0.874174
H 3.249676 2.535657 -0.345213
H 4.176320 0.606847 -1.803542
H 3.484223 -1.024597 -1.583802
H 1.116724 3.523449 0.537851
H -1.749607 1.141210 -1.505131
H -3.426610 -1.505315 1.496164
H -4.053895 1.740586 -2.278442
H -5.755845 -0.890396 0.737123
H -6.060319 0.734504 -1.154915
H 1.113749 -2.664244 1.236496
H 2.857055 -2.337803 0.825703
H 1.932430 -3.602136 -0.081175


