%chk=000128142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128142

0 1
 O    5.783500      0.9397000      -1.344200    
 O   -2.327100      -1.032500     -8.0200002E-02
 N    2.060700      -2.374100     -0.8438000    
 C    3.213500      0.3657000      0.1022000    
 C    3.516300       1.554700     -0.8319000    
 C    3.666700      0.6667000       1.541300    
 C    4.986700       1.974300     -0.7712000    
 C    5.140700       1.063600       1.592000    
 C    5.438500       2.241800      0.6650000    
 C    1.750700     -3.7599999E-02  4.2900000E-02
 C    1.328500      -1.296300     -0.3989000    
 C   0.7665000      0.8715000      0.4411000    
 C  -1.7800000E-02  -1.663600     -0.4531000    
 C  -0.9924000     -0.7304000     -4.7100000E-02
 C  -0.5845000      0.5327000      0.3974000    
 C  -6.7100003E-02  -2.997700     -0.9460000    
 C   -3.026600     -0.9765000       1.159900    
 C    1.226100      -3.406900      -1.176900    
 C   -4.483200     -0.5825000      0.8979000    
 C   -4.596700      0.7794000      0.2038000    
 C   -6.057400       1.140400     -7.4100003E-02
 C   -2.937200      -2.337900       1.836500    
 C   -6.170200       2.479500     -0.8023000    
 C   -7.618300       2.825800      -1.110200    
 H    3.818300     -0.4799000     -0.2484000    
 H    2.897900       2.420600     -0.5649000    
 H    3.251500       1.278100      -1.860600    
 H    3.069900       1.478100       1.976400    
 H    3.506500     -0.2130000       2.177000    
 H    5.142000       2.875900      -1.373900    
 H    5.761300      0.2042000       1.310400    
 H    5.414400       1.328200       2.619800    
 H    6.517100       2.437200      0.6842000    
 H    4.933400       3.137800       1.045400    
 H    1.035600       1.865600      0.7898000    
 H    5.487900      0.8148000      -2.262100    
 H   -1.318000       1.277800      0.6959000    
 H    3.067800      -2.406300     -0.9170000    
 H  -0.9527000      -3.595500      -1.113600    
 H   -2.596100     -0.2299000       1.839000    
 H    1.625900      -4.340000      -1.547800    
 H   -4.952800      -1.338600      0.2557000    
 H   -5.039300     -0.5637000       1.842800    
 H   -4.044800      0.7650000     -0.7434000    
 H   -4.139100       1.551800      0.8337000    
 H   -6.520100      0.3535000     -0.6823000    
 H   -6.611900       1.186300      0.8711000    
 H   -1.896300      -2.595300       2.059100    
 H   -3.323800      -3.126900       1.181900    
 H   -3.501100      -2.353300       2.774300    
 H   -5.731200       3.274800     -0.1888000    
 H   -5.603800       2.443100      -1.740200    
 H   -8.207700       2.900300     -0.1908000    
 H   -8.075800       2.065700      -1.751300    
 H   -7.675800       3.787600      -1.629500    


%chk=000128142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128142

0 1
O 5.600075 2.018819 -1.423563
O -2.323578 -0.539147 0.835156
N 1.558446 -1.494016 -1.546668
C 3.352679 0.519992 -0.030376
C 3.896920 1.902926 0.400729
C 4.208375 -0.599227 0.642335
C 5.392761 2.065278 0.045748
C 5.700477 -0.464658 0.259982
C 6.253081 0.930901 0.631365
C 1.862586 0.321352 0.227315
C 1.130042 -0.651574 -0.510331
C 1.118237 1.009816 1.205711
C -0.258938 -0.936214 -0.298052
C -0.965271 -0.212147 0.705261
C -0.265942 0.758349 1.452128
C -0.648369 -1.966523 -1.234381
C -3.148807 0.152639 1.863675
C 0.483403 -2.284684 -1.983140
C -4.601771 -0.001753 1.381661
C -4.894501 0.748367 0.064888
C -6.330624 0.518920 -0.456815
C -2.900932 -0.475132 3.245758
C -6.621970 1.270468 -1.775584
C -8.051473 1.026736 -2.306025
H 3.533322 0.445152 -1.126849
H 3.792554 2.024810 1.498260
H 3.302738 2.712926 -0.069650
H 4.087509 -0.520443 1.742489
H 3.823636 -1.597490 0.356830
H 5.756391 3.043492 0.430478
H 5.815618 -0.611618 -0.831432
H 6.297680 -1.250127 0.761812
H 7.289833 1.050220 0.266613
H 6.272663 1.046674 1.733740
H 1.610021 1.777359 1.813518
H 5.059812 2.737781 -1.839884
H -0.766881 1.337705 2.233166
H 2.500508 -1.515168 -1.929966
H -1.636385 -2.409275 -1.334026
H -2.875480 1.229357 1.865629
H 0.609182 -3.008231 -2.786524
H -4.808507 -1.082851 1.252135
H -5.274711 0.362893 2.184401
H -4.163870 0.419586 -0.699048
H -4.728196 1.836201 0.214980
H -6.494151 -0.568135 -0.612970
H -7.064454 0.835844 0.314517
H -1.832761 -0.442452 3.520603
H -3.223380 -1.531480 3.244580
H -3.475411 0.063876 4.021847
H -6.463910 2.357091 -1.618080
H -5.882892 0.957590 -2.540935
H -8.809391 1.359638 -1.571595
H -8.223359 -0.049190 -2.499211
H -8.233538 1.572578 -3.250203


