%chk=000155740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155740

0 1
 O   0.3377000     -0.4465000      -1.186500    
 O   -2.312100       1.864500       1.827500    
 O    2.060000       1.009000       2.875600    
 N    1.319700      0.4040000      0.7453000    
 N   -2.596900     -0.4273000     -0.1446000    
 N  -9.9699996E-02   1.482600       2.298500    
 C  -0.8453000       1.303100     -1.7600000E-02
 C    2.561100     -0.2788000      0.4722000    
 C   -2.097600      0.8042000     -0.7557000    
 C    3.222200      0.2921000     -0.7848000    
 C    2.333400      -1.787400      0.3457000    
 C   0.3024000      0.3153000     -0.2186000    
 C    4.512600     -0.4479000      -1.127400    
 C    3.625700      -2.524100      2.9000000E-03
 C    4.284100      -1.952000      -1.249200    
 C   -3.845700     -0.8528000     -0.7921000    
 C   -1.577500      -1.484000     -0.2105000    
 C  -0.4058000       2.647000     -0.6264000    
 C   -1.185800       1.554400       1.442000    
 C   -4.407800      -2.112900     -0.1324000    
 C   -2.065500      -2.764800      0.4685000    
 C   -3.383600      -3.242100     -0.1304000    
 C    1.169900      0.9804000       2.021400    
 C  -0.1224000       2.499900      -2.084300    
 C  -0.7831000       3.164300      -3.039000    
 H    3.263600     -0.1254000       1.300700    
 H   -1.906800      0.6259000      -1.822100    
 H   -2.880800       1.573000     -0.7024000    
 H    3.443800       1.356300     -0.6353000    
 H    2.566600      0.2403000      -1.660000    
 H    1.936600      -2.178500       1.291200    
 H    1.605400      -2.064100     -0.4190000    
 H    5.261000     -0.2550000     -0.3489000    
 H    4.923200     -5.9500001E-02  -2.066300    
 H    3.417000      -3.590100     -0.1432000    
 H    4.322400      -2.449800      0.8471000    
 H    3.648300      -2.154400      -2.120000    
 H    5.240100      -2.457000      -1.427000    
 H   -4.598200     -5.9599999E-02 -0.7063000    
 H   -3.687900      -1.038400      -1.862800    
 H   -1.323200      -1.760300      -1.239400    
 H  -0.7550000      -1.316800      0.4758000    
 H   -1.174500       3.411700     -0.4514000    
 H   0.5040000       3.020400     -0.1384000    
 H   -5.312300      -2.435300     -0.6604000    
 H   -4.703600      -1.886100      0.8999000    
 H   -2.205700      -2.589100       1.543800    
 H   -1.309700      -3.553300      0.3705000    
 H   -3.767200      -4.097100      0.4370000    
 H   -3.215700      -3.586100      -1.158300    
 H  -0.2625000       1.779000       3.256900    
 H   0.7051000       1.868000      -2.393400    
 H  -0.5126000       3.040400      -4.081900    
 H   -1.600600       3.836000      -2.801700    


%chk=000155740-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155740

0 1
O 1.328652 0.949337 -1.651539
O -2.094441 2.882804 1.073106
O 0.540821 -0.537491 2.722926
N 0.975980 0.152841 0.508898
N -2.076873 -0.569676 -0.399392
N -0.722519 1.190753 1.843473
C -0.748700 1.644986 -0.582805
C 2.223013 -0.698324 0.479300
C -1.850463 0.640339 -1.187293
C 3.499376 0.175418 0.387190
C 2.182334 -1.789721 -0.617193
C 0.601942 0.919284 -0.616600
C 4.760135 -0.719082 0.471238
C 3.452179 -2.671832 -0.520981
C 4.741740 -1.821524 -0.614997
C -3.355550 -0.601245 0.356342
C -1.781000 -1.847896 -1.093276
C -0.718072 2.946947 -1.455027
C -1.231485 1.996261 0.822573
C -3.362198 -1.747488 1.388256
C -1.749649 -3.022667 -0.094162
C -3.072589 -3.102425 0.702107
C 0.267198 0.195295 1.735698
C -0.726120 2.747309 -2.958576
C -1.671846 3.263044 -3.783853
H 2.221965 -1.204911 1.462191
H -1.503197 0.395101 -2.207449
H -2.772734 1.247908 -1.288645
H 3.501170 0.915167 1.210956
H 3.497066 0.731305 -0.567055
H 1.276555 -2.412266 -0.486555
H 2.132854 -1.317430 -1.614379
H 4.812550 -1.194623 1.472651
H 5.665794 -0.091446 0.367334
H 3.433958 -3.431855 -1.325455
H 3.449161 -3.223595 0.441975
H 4.795963 -1.348675 -1.616906
H 5.633298 -2.470164 -0.515095
H -3.492243 0.371102 0.862834
H -4.222541 -0.732474 -0.341094
H -2.546381 -2.060931 -1.882996
H -0.803926 -1.751893 -1.600477
H -1.587429 3.556605 -1.150784
H 0.192961 3.513590 -1.175723
H -4.341821 -1.770403 1.902875
H -2.585405 -1.549777 2.152393
H -0.907808 -2.873006 0.610286
H -1.565795 -3.965914 -0.643657
H -3.021765 -3.912617 1.453173
H -3.904984 -3.352031 0.011256
H -1.129501 1.297160 2.778342
H 0.120449 2.183787 -3.371028
H -1.615072 3.134354 -4.870934
H -2.524205 3.837982 -3.398647


