%chk=000063816.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063816

0 1
 O   -3.052600      -1.606900       1.570600    
 N  -2.2800000E-02  -1.283800     -2.8800000E-02
 N    2.693700     -0.4024000     -8.4200002E-02
 N   -2.368700     -0.9826000     -0.5688000    
 N   -3.569700      0.6605000      -1.798200    
 C   0.3655000     -0.1224000     -0.8383000    
 C    1.074600      -2.258500      4.6000001E-03
 C    1.604600      0.5635000     -0.2578000    
 C    2.336600      -1.643700      0.6142000    
 C   -1.238100      -1.898000     -0.5623000    
 C    4.014200      5.0500002E-02  1.3600000E-02
 C    4.309600       1.314200      0.5629000    
 C    5.088400     -0.7438000     -0.4345000    
 C   -3.197000     -0.9323000      0.5555000    
 C   -2.601700     -0.1868000      -1.675700    
 C   -4.320300      2.7500000E-02  0.4547000    
 C    5.626000       1.765100      0.6604000    
 C    6.404800     -0.2928000     -0.3370000    
 C    6.673600      0.9616000      0.2105000    
 C   -4.459000      0.7831000     -0.7174000    
 C   -5.223400      0.1736000       1.512800    
 C    8.080900       1.443700      0.3145000    
 C   -5.520300       1.690000     -0.8131000    
 C   -6.275200       1.081900       1.401200    
 C   -6.423900       1.838900      0.2406000    
 H  -0.4110000      0.6478000     -0.8381000    
 H   0.5598000     -0.4138000      -1.879100    
 H    1.297600      -2.627100      -1.006000    
 H   0.7886000      -3.125200      0.6129000    
 H    1.904100       1.364900     -0.9449000    
 H    1.355500       1.020800      0.7085000    
 H    2.174600      -1.425100       1.677600    
 H    3.140200      -2.386800      0.5559000    
 H   -1.075100      -2.256100      -1.587600    
 H   -1.505900      -2.769600      4.6999998E-02
 H    3.520600       1.962900      0.9352000    
 H    4.902300      -1.719900     -0.8771000    
 H   -1.890300     -0.3297000      -2.503600    
 H    5.823000       2.743900       1.089600    
 H    7.212100     -0.9260000     -0.6952000    
 H   -5.124400     -0.4073000       2.425500    
 H    8.358800       1.990000     -0.5923000    
 H    8.208800       2.106800       1.176900    
 H    8.776300      0.6080000      0.4476000    
 H   -5.650100       2.288100      -1.712000    
 H   -6.979500       1.199700       2.219600    
 H   -7.243900       2.546100      0.1554000    


%chk=000063816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063816

0 1
O -2.328170 -1.857566 1.028815
N -0.041664 -1.216582 -1.111191
N 2.611131 -0.391180 -0.406498
N -2.482506 -0.881728 -1.099095
N -4.063943 0.861455 -1.644478
C 0.756653 -0.416154 -2.053210
C 0.773306 -2.062097 -0.217943
C 1.791199 0.446228 -1.300781
C 1.786039 -1.185626 0.537938
C -1.317800 -1.725412 -1.556502
C 3.892682 0.074220 -0.001838
C 4.370460 1.372375 -0.345478
C 4.777382 -0.772863 0.733169
C -2.889977 -1.013640 0.265131
C -3.085601 0.032190 -1.960449
C -3.986263 -0.104863 0.650746
C 5.671816 1.786859 0.015710
C 6.064564 -0.338397 1.097265
C 6.548268 0.950450 0.745791
C -4.533481 0.806261 -0.314190
C -4.496278 -0.129225 1.975424
C 7.942729 1.404760 1.142573
C -5.585183 1.681280 0.074902
C -5.535758 0.740014 2.343896
C -6.079038 1.646859 1.389084
H 0.088882 0.256481 -2.623563
H 1.300593 -1.065829 -2.782449
H 1.329583 -2.845201 -0.787548
H 0.098210 -2.546510 0.507930
H 2.443813 0.927523 -2.049334
H 1.255064 1.244687 -0.735285
H 1.224237 -0.507425 1.220258
H 2.433929 -1.826686 1.154826
H -1.399103 -1.769294 -2.662226
H -1.492893 -2.732539 -1.142215
H 3.727298 2.079917 -0.877118
H 4.470623 -1.790897 0.995317
H -2.698610 0.039758 -2.986255
H 6.003057 2.793721 -0.268523
H 6.716088 -1.023344 1.655349
H -4.056708 -0.836329 2.686588
H 8.717688 0.702589 0.780398
H 8.173632 2.400995 0.726434
H 8.052510 1.469328 2.242342
H -5.987127 2.367720 -0.676266
H -5.929925 0.723266 3.365417
H -6.889508 2.322950 1.682934


