%chk=000147679.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147679

0 1
 O   0.6900000      -3.370800     -0.4889000    
 O   0.4194000       2.468100      0.8819000    
 O    2.891200      -2.060300     -0.5123000    
 O    5.171900     -0.8952000     -0.5822000    
 O   -7.156100      0.2050000       1.961600    
 O   -4.089500       1.415100      -3.452400    
 N   -4.028200      0.1627000      1.3200000E-02
 C   -3.376200     -0.9842000      0.6476000    
 C   -1.900500     -0.9907000      0.4300000    
 C   0.2174000      0.1803000      0.3878000    
 C   0.8634000      -1.003100      2.3800001E-02
 C   -1.167700      0.1856000      0.5913000    
 C   -5.469800      0.1265000      0.2529000    
 C   -3.747500      0.1791000      -1.421500    
 C   -1.256100      -2.171500      6.6900000E-02
 C    3.091700      0.2278000     -2.3100000E-02
 C    2.445800       1.411100      0.3412000    
 C   0.1242000      -2.181200     -0.1365000    
 C   0.9851000       1.430400      0.5606000    
 C    2.324200      -1.022500     -0.1951000    
 C   -5.750800      0.2053000       1.743900    
 C   -4.399200       1.391500      -2.064700    
 C    4.476500      0.2230000     -0.2283000    
 C    3.184700       2.589600      0.5000000    
 C    5.209100       1.399700     -6.9100000E-02
 C    4.564500       2.580500      0.2942000    
 C    5.682500      -1.701700      0.4768000    
 H   -3.821500      -1.923000      0.2910000    
 H   -3.487300     -0.9669000       1.736400    
 H   -1.670300       1.102400      0.8899000    
 H   -5.940800     -0.7683000     -0.1755000    
 H   -5.992900      0.9867000     -0.1736000    
 H   -4.107200     -0.7356000      -1.912600    
 H   -2.678100      0.2394000      -1.650700    
 H   -1.832200      -3.085800     -5.5900000E-02
 H   -5.335400       1.120800       2.179000    
 H   -5.373700     -0.6566000       2.298000    
 H   -4.032700       2.323800      -1.622700    
 H   -5.489600       1.388900      -2.020000    
 H    2.705700       3.523200      0.7827000    
 H    6.284400       1.405200     -0.2271000    
 H    5.137000       3.495400      0.4173000    
 H   3.0000000E-03  -4.056600     -0.5451000    
 H   -7.297500      0.2743000       2.921300    
 H   -4.432900      0.5942000      -3.844700    
 H    6.557300      -1.218100      0.9224000    
 H    5.991000      -2.663400      5.7799999E-02
 H    4.927300      -1.881100       1.249000    


%chk=000147679-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147679

0 1
O 0.923729 -3.626966 -0.584497
O 0.071424 2.216916 0.950488
O 3.109909 -2.260931 0.082530
O 5.368031 -0.651634 -0.385261
O -6.616947 0.877857 2.415341
O -4.090489 1.752310 -3.417696
N -4.176485 -0.237904 -0.182770
C -3.490609 -1.469586 0.245569
C -1.969902 -1.383030 0.137574
C 0.117723 -0.118184 0.352993
C 0.911304 -1.269741 0.050084
C -1.290571 -0.175110 0.404714
C -5.473312 0.004644 0.489545
C -4.155746 0.007795 -1.640183
C -1.208974 -2.523097 -0.192180
C 3.045393 0.154625 0.164471
C 2.242275 1.314674 0.414099
C 0.208706 -2.482811 -0.237292
C 0.765194 1.205296 0.610076
C 2.405724 -1.202962 0.090870
C -5.281101 0.771770 1.806121
C -4.078645 1.514877 -1.966315
C 4.452397 0.353933 -0.047668
C 2.806325 2.610796 0.460951
C 4.992170 1.666067 -0.035623
C 4.182540 2.789007 0.225056
C 5.853434 -1.544031 0.690461
H -3.847824 -2.372575 -0.310472
H -3.750268 -1.644874 1.308818
H -1.853325 0.732082 0.639058
H -6.023267 -0.939582 0.703927
H -6.124260 0.606277 -0.169234
H -5.046377 -0.438382 -2.152731
H -3.261682 -0.476597 -2.071793
H -1.723861 -3.466644 -0.425792
H -4.845795 1.769273 1.591725
H -4.582676 0.221620 2.473123
H -3.118866 1.925822 -1.617137
H -4.900784 2.069466 -1.465516
H 2.140458 3.453562 0.667927
H 6.062989 1.769183 -0.237861
H 4.623865 3.790885 0.242164
H 0.300526 -4.370527 -0.793298
H -6.562071 1.417043 3.243020
H -4.956211 1.445089 -3.789165
H 6.309541 -0.943672 1.501980
H 6.619097 -2.170958 0.209498
H 5.030892 -2.172070 1.066800


