%chk=000063214.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063214

0 1
 O    5.025100     -0.7140000     -0.3343000    
 O  -0.9101000      -2.229400      8.9900002E-02
 N  -0.4853000      8.6900003E-02  6.3999998E-03
 N   -2.331000       1.590700     -6.8300001E-02
 N  -0.2259000       2.505500      1.6300000E-02
 N  -0.8664000       3.707000      9.7499996E-02
 C   0.9378000     -0.1196000     -8.2099997E-02
 C   -2.752600     -0.8128000      7.8699999E-02
 C   -1.298500      -1.063600      8.0899999E-02
 C   -3.204600      0.5013000     -2.1900000E-02
 C   -1.037700       1.393300     -3.4699999E-02
 C    1.536700     -0.2406000      -1.329000    
 C    1.691700     -0.1955000       1.081500    
 C   -3.659500      -1.877700      0.1484000    
 C   -4.583600      0.7418000     -5.1700000E-02
 C    3.680900     -0.5190000     -0.2510000    
 C    2.914500     -0.4412000      -1.413800    
 C    3.069500     -0.3960000      0.9968000    
 C   -5.029900      -1.624200      0.1187000    
 C   -5.492500     -0.3149000      1.7300000E-02
 C    5.827800     -0.1584000      0.7063000    
 C    7.193600      0.1804000      0.1481000    
 H   0.9472000     -0.1812000      -2.239700    
 H    1.221900     -0.1064000       2.057200    
 H   -3.319300      -2.906800      0.2235000    
 H   -4.959400       1.759700     -0.1254000    
 H    3.385200     -0.5358000      -2.388600    
 H    3.624800     -0.4779000       1.926300    
 H   -5.736100      -2.447600      0.1726000    
 H   -6.559900     -0.1153000     -6.0999999E-03
 H   0.7794000       2.463200      0.1368000    
 H    5.396200      0.7687000       1.104100    
 H    5.928900     -0.8921000       1.513500    
 H  -0.2987000       4.413700     -0.3679000    
 H  -0.9170000       3.987200       1.076000    
 H    7.840700      0.6001000      0.9234000    
 H    7.673100     -0.7127000     -0.2662000    
 H    7.107500      0.9033000     -0.6699000    


%chk=000063214-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063214

0 1
O 5.139265 -0.103304 -0.407251
O -0.633837 -2.079857 0.219707
N -0.509179 0.254773 -0.019089
N -2.494200 1.653815 -0.072741
N -0.369306 2.629396 -0.182557
N -0.908113 3.939204 -0.224073
C 0.942432 0.178439 -0.084665
C -2.711123 -0.811217 0.137221
C -1.247658 -0.979611 0.123282
C -3.282046 0.500710 0.032810
C -1.172630 1.501094 -0.092660
C 1.602910 0.335874 -1.328639
C 1.689285 -0.092236 1.080240
C -3.548615 -1.952191 0.250639
C -4.700480 0.633229 0.043789
C 3.755704 -0.023632 -0.224848
C 3.003398 0.243710 -1.398598
C 3.095210 -0.195043 1.019874
C -4.944654 -1.804647 0.259017
C -5.516631 -0.504014 0.154717
C 5.979295 -0.421856 0.768034
C 7.423185 -0.469167 0.277330
H 1.016878 0.515317 -2.236082
H 1.168513 -0.240877 2.031304
H -3.071840 -2.935018 0.328231
H -5.124075 1.638945 -0.036178
H 3.534932 0.360081 -2.347487
H 3.654162 -0.414355 1.933432
H -5.592483 -2.683170 0.344823
H -6.606621 -0.389141 0.161391
H 0.646747 2.554827 -0.159975
H 5.841413 0.361848 1.541105
H 5.662935 -1.397784 1.189471
H -1.469012 4.062421 -1.080482
H -1.507389 4.099307 0.600166
H 8.100720 -0.704516 1.118050
H 7.545725 -1.243824 -0.498413
H 7.721680 0.502569 -0.151295


