%chk=000072723.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072723

0 1
 O  -0.3967000     -0.1674000      2.9400000E-02
 O    4.274700     -0.9835000      0.2570000    
 O    1.575100      -2.539900      -1.058900    
 O   -4.241800      -1.259800      0.5734000    
 O    1.432000      -2.657300       1.248700    
 O   -2.311400      -1.961600     -0.4658000    
 N   0.2658000       2.614200     -8.6900003E-02
 N    4.948500       1.657800      0.1475000    
 C   0.9266000      0.2533000      6.0300000E-02
 C    1.199000       1.715600     -3.8000001E-03
 C   -1.370700      0.7958000     -5.8100000E-02
 C   -1.060000       2.157200     -0.1156000    
 C    1.940200     -0.6221000      0.1455000    
 C   -2.696700      0.3609000     -8.7700002E-02
 C    2.612000       2.148400      2.9800000E-02
 C    3.634100       1.290800      0.1144000    
 C    3.357100     -0.1701000      0.1784000    
 C   -2.103300       3.084600     -0.2036000    
 C   -3.727700       1.294100     -0.1754000    
 C   -3.431500       2.655000     -0.2334000    
 C    1.618000      -2.058800      0.2064000    
 C   -3.031100      -1.056100     -2.8400000E-02
 C    1.270200      -3.934300      -1.166300    
 C   -4.682200      -2.616800      0.6930000    
 H    2.793500       3.218600     -1.7999999E-02
 H   -1.887800       4.149200     -0.2504000    
 H   -4.771600      0.9943000     -0.2152000    
 H   -4.234600       3.383000     -0.3052000    
 H    5.201500       2.637300      0.1066000    
 H    5.669100      0.9498000      0.2115000    
 H    1.268300      -4.201000      -2.226400    
 H   0.2783000      -4.137700     -0.7512000    
 H    2.033000      -4.529800     -0.6556000    
 H   -4.794000      -3.065300     -0.2986000    
 H   -5.654900      -2.616400       1.191700    
 H   -3.975100      -3.190600       1.299300    


%chk=000072723-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072723

0 1
O -0.221019 -0.107489 0.060978
O 4.514495 -0.870338 0.119411
O 1.239629 -2.495661 -0.954067
O -4.296826 -1.403665 0.236607
O 2.036073 -2.714214 1.232868
O -2.100644 -2.135522 0.024252
N 0.284544 2.704319 -0.091764
N 5.054510 1.739504 0.048359
C 1.092108 0.370750 0.029166
C 1.314968 1.831290 -0.030608
C -1.292712 0.784916 -0.006891
C -1.015373 2.190238 -0.084698
C 2.115542 -0.554630 0.087369
C -2.620116 0.277299 0.016284
C 2.664105 2.302389 -0.024521
C 3.727944 1.404618 0.037160
C 3.499558 -0.091561 0.091573
C -2.112579 3.093393 -0.146844
C -3.680664 1.219510 -0.041287
C -3.430662 2.610138 -0.124476
C 1.815441 -2.022869 0.215960
C -2.915858 -1.186987 0.087512
C 0.687010 -3.874212 -0.904490
C -4.705823 -2.824676 0.309661
H 2.814950 3.384932 -0.069267
H -1.882469 4.161159 -0.207769
H -4.703931 0.838485 -0.020923
H -4.271826 3.308254 -0.170654
H 5.377382 2.702633 0.015026
H 5.720771 0.962073 0.090819
H 0.612429 -4.188423 -1.955180
H -0.308157 -3.820351 -0.434227
H 1.355787 -4.537253 -0.331682
H -4.429521 -3.351279 -0.619480
H -5.796665 -2.795364 0.439166
H -4.216500 -3.320007 1.165057


