%chk=000030354.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030354

1 1
 O    1.233300      -1.141400      0.3820000    
 N   -1.641100      0.1997000     -0.4112000    
 N   -1.836500      -1.953600     -0.3255000    
 N    1.289800       3.325300     -0.3085000    
 C   -1.049900       1.517300     -0.5586000    
 C   -2.968900     -5.4000001E-02 -0.1349000    
 C  -0.5279000       2.080200      0.7626000    
 C  -0.9724000     -0.9528000     -0.5233000    
 C   -3.095000      -1.444200     -7.9499997E-02
 C   0.1496000       3.439600      0.5940000    
 C   0.4743000      -1.114600     -0.8141000    
 C   -4.044800      0.8025000      6.6500001E-02
 C   -4.306000      -2.074700      0.1810000    
 C   -5.273600      0.1809000      0.3307000    
 C   -5.401100      -1.223400      0.3864000    
 C    2.261200       2.360200      0.2090000    
 C    1.924400       4.629700     -0.5041000    
 C    2.592400      -1.284800      0.2539000    
 C    3.154300      -1.394900      -1.011800    
 C    3.389000      -1.317900       1.391500    
 C    4.535400      -1.540500      -1.142000    
 C    4.770000      -1.463600       1.261200    
 C    5.343400      -1.574900     -5.5000000E-03
 H   -1.806400       2.195000     -0.9731000    
 H  -0.2679000       1.470900      -1.320100    
 H   -1.383800       2.213700       1.437800    
 H   0.1110000       1.353100       1.274400    
 H  -0.5816000       4.148000      0.1848000    
 H   0.4520000       3.818800       1.578700    
 H   -1.602000      -2.942400     -0.3510000    
 H   0.5357000      -2.076300      -1.337400    
 H   0.7600000     -0.2987000      -1.481000    
 H   -3.943700       1.879400      2.6200000E-02
 H   -4.390200      -3.153000      0.2212000    
 H   -6.154100      0.7974000      0.4983000    
 H   -6.376800      -1.656600      0.5950000    
 H    1.885400       1.343500      0.1386000    
 H    2.551600       2.569800       1.244700    
 H    3.172100       2.370400     -0.4017000    
 H    1.208400       5.347400     -0.9198000    
 H    2.745600       4.554500      -1.225500    
 H    2.322100       5.040500      0.4311000    
 H    2.586600      -1.380000      -1.935300    
 H    2.946100      -1.230500       2.379400    
 H    4.982800      -1.628000      -2.128000    
 H    5.399200      -1.489900       2.146100    
 H    6.418700      -1.688300     -0.1069000    


%chk=000030354-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030354

1 1
O 1.365560 -1.419632 -0.198489
N -1.677590 0.587094 -0.590337
N -1.204179 -1.364219 0.360207
N 1.078067 2.658539 0.240368
C -1.547828 1.868288 -1.331676
C -2.866541 0.137618 0.050263
C -1.355754 3.112541 -0.417720
C -0.698820 -0.342525 -0.384971
C -2.559503 -1.115380 0.658895
C 0.098123 3.628306 -0.325502
C 0.724942 -0.265698 -0.822062
C -4.152502 0.705010 0.135947
C -3.523283 -1.847628 1.377480
C -5.119562 -0.028221 0.855240
C -4.811171 -1.279023 1.464090
C 0.861585 2.414314 1.692969
C 2.476902 3.109838 -0.011153
C 2.768770 -1.576716 -0.398848
C 3.552464 -0.682183 -1.160912
C 3.339597 -2.707498 0.224665
C 4.938348 -0.937036 -1.295302
C 4.722229 -2.944359 0.081350
C 5.527533 -2.061334 -0.678280
H -2.465426 1.969248 -1.936775
H -0.702853 1.771343 -2.033956
H -1.963823 3.939925 -0.829036
H -1.769573 2.904841 0.586528
H 0.445152 3.895035 -1.342243
H 0.090397 4.575358 0.266756
H -0.614424 -2.152946 0.638216
H 0.805002 -0.314722 -1.929972
H 1.126216 0.728990 -0.476001
H -4.401457 1.665115 -0.324726
H -3.293639 -2.809597 1.843979
H -6.133092 0.373105 0.948243
H -5.594449 -1.811808 2.011265
H -0.150642 2.013644 1.876502
H 0.980454 3.340460 2.300571
H 1.593337 1.671255 2.054809
H 2.640881 3.236791 -1.095615
H 3.185437 2.350055 0.361975
H 2.710374 4.076229 0.490369
H 3.116963 0.193442 -1.652312
H 2.705867 -3.383676 0.806663
H 5.553170 -0.251998 -1.888515
H 5.170021 -3.820265 0.561750
H 6.599421 -2.251123 -0.788392


