%chk=000049013.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049013

0 1
 O    1.542200      0.4236000       1.224000    
 O    3.288000     -0.2688000       2.555200    
 N   -1.246100      2.9999999E-02  0.9255000    
 C   -2.550700      0.4984000      0.4593000    
 C   -1.360500      -1.308100       1.504400    
 C  -0.6870000      0.9636000       1.902500    
 C   -2.469400       1.875700     -0.1437000    
 C   -1.877100      -2.309200      0.5056000    
 C   0.6888000      0.5038000       2.358000    
 C   -2.644500       2.988100      0.6676000    
 C   -3.244600      -2.518800      0.3929000    
 C   -2.220100       2.013300      -1.502000    
 C  -0.9789000      -3.008000     -0.2889000    
 C   -2.569100       4.264100      0.1091000    
 C   -3.723300      -3.446100     -0.5326000    
 C   -2.144600       3.289300      -2.060400    
 C   -1.457900      -3.935200      -1.214400    
 C   -2.319100       4.414700      -1.254800    
 C   -2.830200      -4.154200      -1.336300    
 C    2.821100      2.2600001E-02   1.465100    
 C    3.606200     -1.8400000E-02  0.2056000    
 C    4.964100      0.2211000      0.2581000    
 C    2.953700     -0.2951000     -0.9784000    
 C    5.701800      0.1824000     -0.9250000    
 C    3.691600     -0.3339000      -2.161600    
 C    5.065600     -9.5100001E-02  -2.134800    
 H   -3.295400      0.4990000       1.267800    
 H   -2.954500     -0.1358000     -0.3357000    
 H   -2.005100      -1.307800       2.394900    
 H  -0.3951000      -1.703000       1.835600    
 H   -1.341000       1.089600       2.774100    
 H  -0.5081000       1.942900       1.450100    
 H   0.6824000     -0.4324000       2.924200    
 H    1.092200       1.270800       3.032500    
 H   -2.855400       2.887600       1.728500    
 H   -3.952500      -1.987400       1.022700    
 H   -2.079200       1.144500      -2.138900    
 H   9.1799997E-02  -2.843200     -0.2055000    
 H   -2.708300       5.140300      0.7356000    
 H   -4.791600      -3.619200     -0.6251000    
 H   -1.949100       3.406800      -3.122300    
 H  -0.7624000      -4.486100      -1.840900    
 H   -2.260800       5.408200      -1.689800    
 H   -3.202900      -4.876500      -2.056600    
 H    5.470100      0.4414000       1.193400    
 H    1.887800     -0.4979000      -1.024200    
 H    6.771600      0.3688000     -0.9044000    
 H    3.197000     -0.5532000      -3.103300    
 H    5.640200     -0.1260000      -3.055900    


%chk=000049013-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049013

0 1
O 1.578203 0.814117 1.730388
O 1.883171 -1.440994 1.194217
N -1.382258 -0.082487 1.442695
C -2.472568 0.563148 0.664976
C -1.796012 -1.397567 2.007844
C -0.787849 0.815741 2.456101
C -1.983733 1.689737 -0.237414
C -2.062043 -2.450436 0.939155
C 0.654390 0.452394 2.837588
C -2.673691 2.925729 -0.293447
C -3.340611 -3.045181 0.805687
C -0.851690 1.499415 -1.070260
C -1.014166 -2.868716 0.078266
C -2.248337 3.951904 -1.169641
C -3.577249 -4.038104 -0.174434
C -0.421469 2.522313 -1.942350
C -1.249208 -3.857428 -0.901488
C -1.120132 3.752484 -1.997516
C -2.530845 -4.445450 -1.032281
C 2.087728 -0.224104 0.948805
C 2.917764 0.285802 -0.182370
C 3.600413 -0.663243 -0.987561
C 3.033082 1.671062 -0.467970
C 4.395307 -0.229907 -2.068270
C 3.829643 2.099535 -1.550851
C 4.512551 1.152400 -2.351064
H -3.286174 0.947691 1.332020
H -2.926412 -0.231065 0.041619
H -2.701977 -1.290767 2.657851
H -0.973878 -1.749584 2.657873
H -1.390950 0.846283 3.401688
H -0.781048 1.841601 2.046867
H 0.781597 -0.619260 3.068732
H 0.985284 1.064917 3.693555
H -3.548314 3.085791 0.350181
H -4.154686 -2.730724 1.471715
H -0.313829 0.546956 -1.014970
H -0.021204 -2.420110 0.193424
H -2.793052 4.902519 -1.203464
H -4.571903 -4.489011 -0.267984
H 0.457055 2.360093 -2.577685
H -0.432294 -4.176612 -1.559036
H -0.787872 4.545967 -2.676750
H -2.710036 -5.214115 -1.792857
H 3.494934 -1.726616 -0.748383
H 2.493510 2.390693 0.153529
H 4.922976 -0.963273 -2.687556
H 3.918278 3.168805 -1.771660
H 5.131305 1.488860 -3.190713


