%chk=000100660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100660

0 1
 O  -0.5718000      -2.890900      3.8300000E-02
 N    3.015100      0.2494000     -1.4000000E-03
 N  -0.3763000     -0.5299000      7.8999996E-03
 N   0.6446000      0.3925000     -3.8999999E-03
 N   -5.684800       1.238500     -2.3100000E-02
 C    4.227700     -0.5578000      9.1000004E-03
 C    3.318800       1.673900     -1.7600000E-02
 C    5.336200      0.4402000     -0.3104000    
 C    4.811800       1.735100      0.2894000    
 C    1.767800     -0.2583000      4.8000002E-03
 C    1.568400      -1.745500      2.3600001E-02
 C   7.3299997E-02  -1.856400      2.5200000E-02
 C   -1.690900     -9.1899998E-02  1.4000000E-03
 C   -2.743500      -1.014400      1.2600000E-02
 C   -1.979800       1.277600     -1.8200001E-02
 C   -4.066800     -0.5734000      4.1999999E-03
 C   -3.303200       1.718400     -2.6600000E-02
 C   -4.346700      0.7929000     -1.5300000E-02
 H    4.209400      -1.358400     -0.7368000    
 H    4.375500     -0.9951000       1.002700    
 H    2.741100       2.229100      0.7285000    
 H    3.108600       2.086100      -1.010700    
 H    5.444200      0.5489000      -1.396400    
 H    6.303100      0.1397000      0.1025000    
 H    4.973400       1.736400       1.374100    
 H    5.290200       2.624300     -0.1301000    
 H    1.976300      -2.209100     -0.8771000    
 H    1.983200      -2.185800      0.9329000    
 H   -2.607800      -2.087000      2.7799999E-02
 H   -1.195900       2.030300     -2.7799999E-02
 H   -4.872300      -1.303600      1.3200000E-02
 H   -3.508700       2.785700     -4.1700002E-02
 H   -6.441700      0.5679000     -1.5799999E-02
 H   -5.888300       2.229100     -3.8199998E-02


%chk=000100660-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100660

0 1
O -0.638912 -3.047577 0.034970
N 3.061640 0.184011 -0.001282
N -0.378115 -0.665443 0.006435
N 0.700482 0.306072 -0.004669
N -5.677224 1.392103 -0.025944
C 4.352254 -0.539463 0.022451
C 3.221306 1.658812 0.010840
C 5.377716 0.568637 -0.320826
C 4.734666 1.851638 0.271630
C 1.830619 -0.410945 0.002792
C 1.602910 -1.905887 0.015879
C 0.063760 -1.993104 0.021972
C -1.714300 -0.163166 -0.000833
C -2.830517 -1.042659 0.013221
C -1.936712 1.237961 -0.023369
C -4.137223 -0.522216 0.004784
C -3.246126 1.751405 -0.031655
C -4.373839 0.881909 -0.017707
H 4.364109 -1.367173 -0.711180
H 4.552677 -0.970690 1.026530
H 2.578108 2.106212 0.790406
H 2.901784 2.084156 -0.961574
H 5.474720 0.663410 -1.417712
H 6.375867 0.354707 0.096373
H 4.928411 1.906014 1.358657
H 5.122390 2.774705 -0.190347
H 2.007367 -2.419837 -0.874536
H 2.018974 -2.406111 0.908505
H -2.664230 -2.122049 0.030079
H -1.074411 1.908216 -0.034805
H -4.987393 -1.215802 0.015783
H -3.398108 2.837999 -0.049269
H -6.478801 0.769297 -0.016517
H -5.843648 2.393360 -0.041983


