%chk=000045479.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045479

0 1
 O   -4.703800      -2.864800     -0.6185000    
 O    6.830900     -5.9700001E-02 -0.2567000    
 O    6.202500      -2.115900      0.1863000    
 N   -1.587700       2.770800      8.2900003E-02
 N    5.934200     -0.9157000     -6.2700003E-02
 C   -1.502300       1.583100      0.9752000    
 C   -2.366800      0.3966000      0.5409000    
 C  -2.6400000E-02   1.146600       1.050700    
 C   -2.935900       2.961500     -0.4648000    
 C   -3.306200       1.772600      -1.345700    
 C   -3.224900      0.4910000     -0.5684000    
 C   0.4724000      0.6991000     -0.3154000    
 C   -1.170800       3.998400      0.7716000    
 C   -2.358000     -0.7992000       1.280000    
 C   -3.993000     -0.6141000     -0.9631000    
 C    1.916500      0.2722000     -0.2494000    
 C   -3.947800      -1.800600     -0.2351000    
 C   -3.137600      -1.890000      0.8917000    
 C    2.915100       1.210500     -0.4633000    
 C    2.223400      -1.052400      2.4700001E-02
 C    4.251300      0.8154000     -0.4016000    
 C    3.559800      -1.447600      8.6499996E-02
 C    4.573900     -0.5137000     -0.1266000    
 C   -4.618700      -4.044000      0.1807000    
 H   -1.853500       1.861600       1.978700    
 H   9.8899998E-02  0.3340000       1.777500    
 H   0.6026000       1.957900       1.436100    
 H   -2.968600       3.863300      -1.088800    
 H   -3.672400       3.093100      0.3397000    
 H   -2.633100       1.708700      -2.209700    
 H   -4.324500       1.920000      -1.724500    
 H   0.3807000       1.501300      -1.058300    
 H  -0.1139000     -0.1380000     -0.7125000    
 H  -0.1332000       3.941200       1.112400    
 H   -1.807200       4.220900       1.635800    
 H   -1.213500       4.853900      8.7499999E-02
 H   -1.743200     -0.8927000       2.171600    
 H   -4.638400     -0.5434000      -1.835700    
 H   -3.063600      -2.775400       1.514100    
 H    2.673800       2.248300     -0.6755000    
 H    1.440500      -1.786200      0.1945000    
 H    5.014600       1.570200     -0.5722000    
 H    3.773400      -2.491100      0.3038000    
 H   -4.980700      -3.866600       1.199100    
 H   -3.608500      -4.467100      0.1672000    
 H   -5.283300      -4.788400     -0.2698000    


%chk=000045479-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045479

0 1
O -4.873118 -2.864937 -0.578194
O 7.016493 0.176229 -0.102031
O 6.456282 -2.034737 -0.047003
N -1.623204 2.759465 0.124586
N 6.145748 -0.780371 -0.103918
C -1.504396 1.559918 1.004929
C -2.425063 0.404398 0.590940
C -0.013604 1.088941 1.049159
C -2.924255 2.916839 -0.565645
C -3.198194 1.691063 -1.451372
C -3.206785 0.434785 -0.598018
C 0.510817 0.645559 -0.343210
C -1.199766 4.000838 0.801720
C -2.494903 -0.744426 1.413084
C -4.006327 -0.674440 -0.943985
C 1.977919 0.270308 -0.306355
C -4.044942 -1.825434 -0.123287
C -3.289093 -1.861340 1.074919
C 2.984626 1.276407 -0.302653
C 2.383976 -1.090872 -0.244622
C 4.350101 0.945588 -0.237401
C 3.744370 -1.446966 -0.178110
C 4.713483 -0.419129 -0.173470
C -4.950502 -4.075113 0.242866
H -1.777647 1.838176 2.056351
H 0.082148 0.254879 1.770239
H 0.620570 1.910055 1.435539
H -2.863741 3.830603 -1.186106
H -3.772649 3.057085 0.151721
H -2.404856 1.631343 -2.222407
H -4.163793 1.806028 -1.977797
H 0.332330 1.488368 -1.037667
H -0.094170 -0.210010 -0.695612
H -0.181995 3.891158 1.213995
H -1.877740 4.293971 1.642347
H -1.179053 4.831238 0.073546
H -1.921441 -0.774171 2.348023
H -4.619345 -0.660253 -1.851598
H -3.317042 -2.728391 1.741122
H 2.687444 2.329937 -0.363097
H 1.619986 -1.876650 -0.253314
H 5.133098 1.708516 -0.239238
H 4.069525 -2.489746 -0.133021
H -5.357845 -3.855430 1.249140
H -3.959334 -4.559488 0.341982
H -5.637115 -4.744189 -0.296178


