%chk=000030260.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030260

0 1
 O    6.860500       1.205500      0.1029000    
 O    1.051500      -1.458300      0.4248000    
 O   -3.447900      -2.482700     -0.7606000    
 O   -5.260600     -0.8244000      0.2911000    
 N    4.281100      0.1123000     -0.4005000    
 C    4.654100      0.6228000      0.9260000    
 C    5.474200     -0.3774000      -1.105100    
 C    3.276200     -0.9427000     -0.2867000    
 C    5.711700       1.713400      0.7822000    
 C    6.513200      0.7362000      -1.200400    
 C    2.004200     -0.4058000      0.3499000    
 C  -0.2703000      -1.100000      0.3735000    
 C   -2.952500     -0.3749000      0.2726000    
 C   -4.717900       1.515900      9.3800001E-02
 C   -1.200400      -1.978300     -0.1709000    
 C  -0.6678000      0.1370000      0.8679000    
 C   -2.546100      -1.614500     -0.2217000    
 C   -4.351500      2.6699999E-02  0.2254000    
 C   -6.047200       1.752600     -0.6231000    
 C   -2.013300      0.5008000      0.8173000    
 C   -6.351000       3.235900     -0.7583000    
 H    5.045100     -0.1879000       1.554200    
 H    3.811800       1.087900       1.444400    
 H    5.906000      -1.234100     -0.5715000    
 H    5.211000     -0.7050000      -2.117400    
 H    3.647800      -1.801100      0.2890000    
 H    3.024400      -1.332600      -1.281700    
 H    6.034700       2.053000       1.771600    
 H    5.323600       2.586100      0.2427000    
 H    6.152500       1.575400      -1.807600    
 H    7.425400      0.3555000      -1.670800    
 H    2.168500     -6.7199998E-02   1.376200    
 H    1.640100      0.4294000     -0.2635000    
 H   -3.927200       2.026500     -0.4681000    
 H   -4.755900       1.938900       1.104300    
 H  -0.8810000      -2.943300     -0.5557000    
 H   2.5100000E-02  0.8342000       1.328700    
 H   -6.019200       1.291500      -1.617500    
 H   -6.861100       1.266700     -7.2200000E-02
 H   -2.301400       1.463700       1.229900    
 H   -5.574200       3.744400      -1.338100    
 H   -7.307100       3.381700      -1.270600    
 H   -6.415600       3.714000      0.2243000    
 H   -4.326300      -2.074700     -0.8160000    


%chk=000030260-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030260

0 1
O 7.235658 1.023165 0.432534
O 1.067450 -1.240468 -0.152687
O -3.496221 -2.591690 -0.191332
O -5.328052 -0.858234 -0.188716
N 4.589965 -0.013561 -0.163433
C 4.978716 0.358956 1.222844
C 5.782698 -0.461539 -0.929212
C 3.459055 -0.968715 -0.215467
C 6.050777 1.460945 1.188035
C 6.841246 0.653762 -0.937493
C 2.125938 -0.210244 -0.162589
C -0.264836 -0.828557 -0.154856
C -3.036248 -0.175772 -0.164868
C -4.985285 1.553564 -0.162026
C -1.217815 -1.866104 -0.169510
C -0.671178 0.542513 -0.143603
C -2.593603 -1.557020 -0.175038
C -4.473459 0.115935 -0.172754
C -6.522553 1.666695 -0.180671
C -2.038848 0.841538 -0.148647
C -6.992814 3.136250 -0.164677
H 5.379834 -0.524967 1.779523
H 4.092005 0.729348 1.770643
H 6.232831 -1.386867 -0.490589
H 5.479863 -0.686345 -1.969104
H 3.489802 -1.719334 0.608503
H 3.502352 -1.530647 -1.165677
H 6.416575 1.692583 2.201939
H 5.626346 2.377538 0.724078
H 6.435856 1.544897 -1.463688
H 7.768487 0.319705 -1.431412
H 2.049894 0.411342 0.751856
H 2.023202 0.439940 -1.051968
H -4.556853 2.090921 -1.033572
H -4.580083 2.068168 0.734149
H -0.897173 -2.910220 -0.178481
H 0.064243 1.350654 -0.132753
H -6.914683 1.148573 -1.074994
H -6.938074 1.121873 0.686751
H -2.347694 1.891997 -0.140515
H -6.614819 3.690426 -1.045116
H -8.095919 3.198836 -0.178047
H -6.637956 3.663185 0.741732
H -4.441427 -2.159927 -0.194390


