%chk=000158603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158603

0 1
 O    2.527600       1.864900     -0.2907000    
 O    1.974500      -3.429000     -0.3718000    
 N    4.313700      0.4024000       1.168100    
 C   -1.580400      7.1000000E-03 -0.5278000    
 C  -0.8011000       1.312900     -0.9600000    
 C   -2.639200      0.1588000      0.6311000    
 C  -0.2331000       2.016700      0.3248000    
 C   -1.942600      0.8672000       1.815400    
 C   -1.286200       2.188700       1.428900    
 C   -2.186600     -0.8090000      -1.689100    
 C   0.4075000      0.8882000      -1.845500    
 C   -3.142000      -1.245800       1.035800    
 C   -1.642000       2.278200      -1.819500    
 C   -3.909900      0.9481000      0.2362000    
 C   -2.582700      -2.212600      -1.225000    
 C   0.4335000       3.377900      7.1500003E-02
 C   -3.107100      -2.281300      0.1755000    
 C    1.315300     -2.7000001E-03  -1.094800    
 C   -3.716900      -1.446700       2.414900    
 C    2.402400      0.6425000     -0.3065000    
 C    1.187000      -1.333800      -1.107400    
 C    3.334500     -0.2346000      0.4618000    
 C    2.101000      -2.209600     -0.3533000    
 C    3.173500      -1.562900      0.4248000    
 C    5.599200     -0.1859000       1.402600    
 H  -0.8409000     -0.6435000     -5.0700001E-02
 H   0.4876000       1.365100      0.8195000    
 H   -1.175900      0.2080000       2.245300    
 H   -2.660100       1.069100       2.621100    
 H   -2.047200       2.917200       1.128500    
 H  -0.8081000       2.608800       2.323700    
 H   -1.506300     -0.9179000      -2.536600    
 H   -3.070100     -0.3021000      -2.092000    
 H   0.9564000       1.760300      -2.221000    
 H   6.6600002E-02  0.3987000      -2.765400    
 H   -2.179600       1.754800      -2.615500    
 H   -2.364600       2.846700      -1.234600    
 H   -1.007500       3.024200      -2.313000    
 H   -4.444800      0.4879000     -0.6007000    
 H   -4.620300      0.9944000       1.070900    
 H   -3.709800       1.983600     -3.0500000E-02
 H   -1.710500      -2.874300      -1.286400    
 H   -3.332100      -2.619200      -1.914000    
 H  -0.3267000       4.166000      2.7999999E-03
 H    1.086500       3.649100      0.9087000    
 H    1.003900       3.441500     -0.8564000    
 H   -3.473300      -3.255000      0.4925000    
 H   -4.146200      -2.446900       2.540300    
 H   -4.516700     -0.7279000       2.615000    
 H   -2.940600      -1.331200       3.177500    
 H   0.4348000      -1.836000      -1.702400    
 H    3.825600      -2.234200      0.9745000    
 H    4.251700       1.415300       1.210500    
 H    5.535400      -1.011800       2.118300    
 H    6.274500      0.5630000       1.828800    
 H    6.051700     -0.5487000      0.4735000    


%chk=000158603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158603

0 1
O 2.988250 1.828467 -0.620550
O 2.085601 -3.539711 -0.326441
N 4.810895 0.356467 0.650976
C -1.655663 0.030446 -0.431495
C -0.854425 1.330360 -0.838001
C -2.811873 0.198325 0.633917
C -0.387168 2.082050 0.468598
C -2.206531 0.918747 1.876574
C -1.529319 2.249779 1.502288
C -2.173237 -0.815712 -1.624965
C 0.432726 0.921653 -1.685730
C -3.319089 -1.214653 1.022791
C -1.665191 2.266039 -1.777552
C -4.061982 0.995221 0.139405
C -2.499534 -2.255258 -1.162758
C 0.269713 3.460286 0.213264
C -3.177932 -2.284905 0.191791
C 1.449678 -0.001953 -1.043036
C -4.029251 -1.376741 2.358584
C 2.711098 0.588437 -0.510494
C 1.320389 -1.368490 -0.985514
C 3.722557 -0.319158 0.164469
C 2.320509 -2.276868 -0.343760
C 3.516000 -1.690725 0.237169
C 5.931432 -0.291013 1.324273
H -0.914882 -0.604449 0.103637
H 0.373574 1.425760 0.948273
H -1.456509 0.251197 2.350017
H -2.995374 1.102679 2.631399
H -2.278384 2.969854 1.116131
H -1.106742 2.715888 2.414874
H -1.436714 -0.854984 -2.449085
H -3.083576 -0.356740 -2.054056
H 0.948163 1.857730 -1.962086
H 0.079643 0.462267 -2.627380
H -2.133227 1.694907 -2.599264
H -2.465724 2.803572 -1.244372
H -1.007924 3.026631 -2.236576
H -4.424180 0.626284 -0.835224
H -4.890858 0.873532 0.861076
H -3.868002 2.076469 0.046843
H -1.570306 -2.864197 -1.108437
H -3.139593 -2.762270 -1.913458
H -0.458915 4.178289 -0.207203
H 0.630387 3.883433 1.170297
H 1.137263 3.395520 -0.462998
H -3.564567 -3.261507 0.519481
H -4.438693 -2.396893 2.461301
H -4.869645 -0.663856 2.472317
H -3.347058 -1.201130 3.212132
H 0.452031 -1.877685 -1.417330
H 4.231407 -2.370350 0.708761
H 4.807587 1.368585 0.483132
H 5.594600 -0.834099 2.229056
H 6.667417 0.469449 1.628644
H 6.434449 -1.020273 0.658493


