%chk=000005120.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005120

0 1
 I    5.950000      -1.756300     -0.3311000    
 O   0.2875000      -1.875800     -0.3855000    
 O   0.9844000       1.993400      0.1702000    
 O    2.780200      -2.429800     -8.2500003E-02
 N   -4.080300     -0.2959000      0.1611000    
 N  -0.4018000     -4.4000000E-02  0.8607000    
 C   -2.663100      2.9899999E-02 -5.0700001E-02
 C   -2.676300       1.558100     -0.1289000    
 C   -4.087800       1.926500     -0.5730000    
 C   -4.811700      0.6006000     -0.7375000    
 C   -1.754100     -0.4713000       1.064400    
 C   -4.397400      -1.693800     -0.1054000    
 C   -5.867600      -1.981700      0.1183000    
 C   0.5262000     -0.7920000      0.1407000    
 C    1.895200     -0.2234000      4.2300001E-02
 C    2.049400       1.149700      6.2199999E-02
 C    2.975000      -1.078300     -6.8000004E-02
 C    3.332600       1.688400     -3.1800002E-02
 C    4.258300     -0.5395000     -0.1621000    
 C    4.437000      0.8437000     -0.1440000    
 C    1.264400       3.391500      0.1804000    
 H   -2.319800     -0.3619000      -1.019300    
 H   -1.931500       1.924400     -0.8440000    
 H   -2.466900       2.028400      0.8395000    
 H   -4.569700       2.539100      0.1982000    
 H   -4.083600       2.501900      -1.504300    
 H   -5.866600      0.7076000     -0.4659000    
 H   -4.747600      0.2728000      -1.783200    
 H   -1.770300      -1.564600       1.122900    
 H   -2.073700     -8.3800003E-02   2.038700    
 H   -4.118500      -1.985600      -1.125900    
 H   -3.830300      -2.336400      0.5772000    
 H  -0.1213000      0.8259000       1.301900    
 H   -6.195300      -1.649500       1.109400    
 H   -6.503500      -1.507400     -0.6358000    
 H   -6.047900      -3.060600      5.6699999E-02
 H    3.549900       2.750700     -2.4599999E-02
 H    5.427700       1.285900     -0.2159000    
 H    3.647200      -2.863000     -0.1649000    
 H    1.712800       3.721200     -0.7630000    
 H    1.863000       3.677800       1.051700    
 H   0.3041000       3.909800      0.2723000    


%chk=000005120-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005120

0 1
I 5.796818 -1.805847 1.385798
O 0.028316 -1.447118 -0.816044
O 1.127574 1.844995 -0.942206
O 2.484796 -2.154498 1.259993
N -4.043155 -0.322447 0.087302
N -0.386186 -0.184343 1.093829
C -2.691055 0.311325 0.196472
C -2.958072 1.762872 0.696196
C -4.439562 1.750101 1.161621
C -5.080095 0.732462 0.196478
C -1.813908 -0.540958 1.154123
C -4.190669 -1.270040 -1.037970
C -5.436422 -2.164568 -0.901825
C 0.428991 -0.651566 0.086145
C 1.862956 -0.143143 0.134322
C 2.210923 1.096571 -0.462878
C 2.888654 -0.964233 0.663423
C 3.562280 1.516001 -0.546865
C 4.244643 -0.541444 0.579001
C 4.576220 0.683650 -0.026414
C 1.420744 3.087617 -1.661901
H -2.173992 0.330617 -0.788063
H -2.829540 2.479772 -0.135376
H -2.260262 2.064564 1.498665
H -4.521076 1.379598 2.199749
H -4.915906 2.744515 1.110140
H -6.029674 0.319092 0.581310
H -5.294223 1.217024 -0.791751
H -1.912125 -1.602628 0.868181
H -2.173612 -0.429109 2.192463
H -4.228103 -0.726584 -2.018533
H -3.285051 -1.904280 -1.066441
H 0.001880 0.480010 1.764393
H -5.407984 -2.714956 0.055320
H -6.369690 -1.572988 -0.931474
H -5.476165 -2.896817 -1.729075
H 3.837614 2.467123 -1.008614
H 5.621429 0.998314 -0.092151
H 3.273529 -2.689910 1.546912
H 2.053317 2.895936 -2.549498
H 1.914023 3.828327 -1.002883
H 0.440119 3.469690 -1.980371


