%chk=000037821.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037821

1 1
 O    3.846400      0.4069000      -3.400100    
 O    4.793300       1.219600      -1.510200    
 O   -3.880200      -3.545700     -0.1501000    
 O   -6.289900      -2.186500     -0.1801000    
 O    4.902500      0.4851000       2.463200    
 O   -2.112400       4.310700      0.9395000    
 O    4.571300      -1.723600       2.955500    
 O  -0.3118000       3.468300     -0.1627000    
 N   -1.737600      0.8303000      0.1534000    
 N    4.450700      -1.056300     -0.1439000    
 C    3.887200      -1.034500      -1.513000    
 C    2.374700      -1.281000      -1.487000    
 C    1.670300     -0.7462000     -0.2596000    
 C   -2.738000     -9.7300000E-02  6.6900000E-02
 C   -3.939600      0.6141000      5.3800002E-02
 C    2.328200     -0.5095000      0.8863000    
 C    3.775600     -0.7936000      0.9178000    
 C   0.2492000     -0.5280000     -0.3660000    
 C   -2.237000       2.094100      0.1960000    
 C  -0.3677000      0.5213000      0.1933000    
 C   -3.608000       1.995400      0.1357000    
 C    4.230200      0.2990000      -2.097900    
 C   -2.686400      -1.494200     -1.9999999E-04
 C   -5.150500     -0.1016000     -3.0700000E-02
 C   -3.900100      -2.182700     -8.3499998E-02
 C   -5.114400      -1.499000     -9.8600000E-02
 C    4.457400     -0.7616000       2.235600    
 C   -1.463400       3.296600      0.2867000    
 H    4.405900      -1.813900      -2.081000    
 H    2.196500      -2.365300      -1.517300    
 H    1.909600     -0.8715000      -2.392700    
 H    5.453400      -1.245400     -4.8799999E-02
 H    1.853100     -0.1684000       1.798900    
 H  -0.2690000      -1.232100      -1.005600    
 H   0.2394000       1.271100      0.6935000    
 H   -4.306700       2.821700      0.1461000    
 H   -1.768600      -2.061500      7.3799998E-02
 H   -6.100900      0.4251000     -4.2900000E-02
 H    4.074300       1.284100      -3.775600    
 H   -2.957500      -3.852900     -0.1334000    
 H   -6.086200      -3.137200     -0.2191000    
 H    5.363400      0.5623000       3.325700    
 H   -1.561800       5.121300      0.9872000    


%chk=000037821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037821

1 1
O 3.310981 -1.404916 -3.439113
O 4.644419 0.291465 -2.548385
O -4.269350 -3.139832 -1.642161
O -6.468708 -1.682814 -1.253662
O 4.332476 1.679100 2.363904
O -2.281779 3.987919 2.051644
O 6.226790 0.547967 1.592502
O -0.207440 2.957057 1.846705
N -1.667863 0.667188 0.456701
N 4.677997 -0.961015 -0.056541
C 3.944842 -1.637790 -1.132982
C 2.486328 -1.919398 -0.691530
C 1.818060 -0.712813 -0.034591
C -2.755612 -0.116297 -0.058274
C -3.964806 0.625626 0.154074
C 2.657161 0.163769 0.700110
C 4.049654 -0.038904 0.717756
C 0.397480 -0.612955 -0.124037
C -2.243093 1.886112 1.006463
C -0.314704 0.439359 0.460050
C -3.614348 1.861339 0.814568
C 4.022601 -0.776955 -2.422297
C -2.785841 -1.397257 -0.652289
C -5.218749 0.113263 -0.244229
C -4.045070 -1.895548 -1.041821
C -5.258313 -1.152822 -0.851493
C 4.991475 0.747076 1.592183
C -1.455940 2.944366 1.651318
H 4.436780 -2.599438 -1.363008
H 2.493983 -2.747637 0.046673
H 1.919777 -2.269237 -1.569295
H 5.705934 -0.978915 -0.023579
H 2.271898 0.985956 1.305606
H -0.106714 -1.384104 -0.709219
H 0.228586 1.234778 0.983569
H -4.290822 2.654893 1.126561
H -1.900796 -2.018010 -0.800976
H -6.149481 0.664679 -0.090700
H 3.393339 -0.902461 -4.294748
H -3.454768 -3.680745 -1.776710
H -6.338549 -2.583259 -1.655850
H 4.969594 2.200426 2.923579
H -1.742511 4.698284 2.492423


