%chk=000152424.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152424

0 1
 I    3.076600       4.143100     -0.8183000    
 I   0.7854000     -0.7504000       2.021000    
 I   -2.197700      0.1720000      -3.310500    
 I   -3.548200       3.622100       1.539600    
 O    3.129500     -0.6250000      5.0799999E-02
 O    7.057200     -0.8826000       1.225200    
 O    2.898500       1.485200       1.018400    
 O    6.056500      -2.606100     -0.8905000    
 O    5.711900       1.734400       1.103000    
 O    3.287300      -3.345800      -2.034300    
 O    2.298600      -3.128200      8.0000004E-03
 O   -2.066200       2.561600      -1.133600    
 O   -5.163400      -3.543500     -0.6451000    
 O   -3.667900      -3.081900      0.9968000    
 N   -5.372100      -1.558200       2.369200    
 C    5.986400     -0.5398000      0.3443000    
 C    5.241800      -1.825200     -1.7800000E-02
 C    5.061900      0.4656000       1.031600    
 C    3.930400      -1.508500     -0.7256000    
 C    3.756600      0.6386000      0.2544000    
 C    3.078000      -2.730200     -0.8449000    
 C    1.667500       1.752000      0.4844000    
 C    1.495400       2.855300     -0.3497000    
 C   0.5883000      0.9198000      0.7761000    
 C   0.2401000       3.127200     -0.8938000    
 C  -0.6670000       1.191500      0.2321000    
 C  -0.8410000       2.295200     -0.6029000    
 C   -6.306600     -0.9322000      0.1711000    
 C   -5.187100     -8.9999996E-03 -0.1740000    
 C   -5.888000      -2.086200       1.108200    
 C   -3.105900       1.704800     -0.8136000    
 C   -4.395800     -0.2606000      -1.294800    
 C   -4.930700       1.105500      0.6248000    
 C   -3.348100      0.6021000      -1.616700    
 C   -3.883200       1.968200      0.3027000    
 C   -4.779000      -2.930900      0.5047000    
 H    6.447600     -8.6499996E-02 -0.5420000    
 H    5.069500      -2.422800      0.8858000    
 H    4.854100      0.1520000       2.062200    
 H    4.078500      -1.077400      -1.723800    
 H    3.954100       1.107300     -0.7177000    
 H    7.619300      -1.527500      0.7627000    
 H    6.217600      -2.087300      -1.697100    
 H    6.550800       1.604300       1.577400    
 H    2.737100      -4.152100      -2.131400    
 H   8.5299999E-02   3.983500      -1.546100    
 H   -1.474600      0.5139000      0.4891000    
 H   -7.125700     -0.3636000      0.6321000    
 H   -6.733000      -1.346300     -0.7524000    
 H   -6.744600      -2.736700       1.316700    
 H   -4.606800      -1.125800      -1.918700    
 H   -5.555900       1.297600       1.493900    
 H   -6.085300     -0.9829000       2.815900    
 H   -5.185400      -2.326900       3.012300    
 H   -4.446000      -4.096200      -1.022100    


%chk=000152424-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152424

0 1
I 3.022860 4.039985 -0.644538
I 0.939845 -1.061417 2.185135
I -2.286386 -0.338787 -3.155577
I -3.621879 3.647341 1.346768
O 3.561044 -0.592174 -0.266048
O 7.406760 -0.663555 1.355480
O 3.005075 1.199673 1.137429
O 6.893328 -2.208499 -0.991117
O 5.839393 1.720920 1.579281
O 4.749184 -3.457395 -2.102446
O 2.626793 -2.511477 -2.052250
O -2.075100 2.219521 -1.132077
O -6.008810 -3.594811 -0.172858
O -4.533148 -3.017228 1.526805
N -6.376699 -1.056077 2.536189
C 6.333294 -0.371336 0.404514
C 5.776786 -1.655328 -0.226621
C 5.281501 0.429441 1.192615
C 4.557214 -1.256391 -1.107641
C 4.059336 0.685609 0.300181
C 3.830408 -2.423896 -1.777864
C 1.749919 1.441557 0.534823
C 1.493243 2.575023 -0.282475
C 0.661215 0.588482 0.850206
C 0.218144 2.811449 -0.828872
C -0.628329 0.812474 0.327722
C -0.827866 1.916619 -0.525741
C -6.865092 -0.775204 0.085917
C -5.610698 0.016310 -0.241026
C -6.676278 -1.764500 1.291874
C -3.209664 1.451982 -0.800412
C -4.743601 -0.406886 -1.279846
C -5.277835 1.177835 0.502858
C -3.558959 0.305455 -1.557997
C -4.089810 1.883630 0.225083
C -5.617669 -2.830853 0.937587
H 6.722715 0.265626 -0.421674
H 5.434351 -2.356927 0.562287
H 4.956999 -0.156072 2.077132
H 4.921795 -0.580598 -1.918420
H 4.302407 1.381198 -0.532357
H 8.085237 -1.209552 0.880858
H 6.560540 -3.014687 -1.469398
H 6.679088 1.535442 2.075029
H 4.266752 -4.194593 -2.565479
H 0.013205 3.676675 -1.462793
H -1.450865 0.137365 0.574475
H -7.682779 -0.096180 0.382383
H -7.193809 -1.358326 -0.791439
H -7.640158 -2.294508 1.407313
H -5.000811 -1.288717 -1.874266
H -5.952191 1.519418 1.293069
H -6.654314 -1.563727 3.381189
H -5.402211 -0.740783 2.599437
H -5.306874 -4.272048 -0.375306


