%chk=000038053.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038053

0 1
 O   -3.112700      -1.636400     -0.3364000    
 O    4.636200      -1.086900      1.3900000E-02
 N   -5.794800      0.7735000      0.3954000    
 N    2.434400      -1.740600      4.2399999E-02
 N    3.094800      0.5717000      0.1122000    
 C   -7.121900      0.6734000       1.001900    
 C   -6.022200       1.374300     -0.9187000    
 C   -7.762700       2.005300      0.6403000    
 C   -7.042400       2.464100     -0.6239000    
 C   -5.125000     -0.5156000      0.3086000    
 C   -3.734800     -0.3591000     -0.2865000    
 C   -1.745600      -1.662000     -0.2431000    
 C   -1.115500      -2.761800      0.3275000    
 C   -1.003400     -0.5878000     -0.7200000    
 C    1.027600      -1.713800     -5.3599998E-02
 C   0.2760000      -2.787800      0.4227000    
 C   0.3879000     -0.6137000     -0.6249000    
 C    3.334700     -0.7099000      5.9099998E-02
 C    5.301900      0.1050000      4.3000001E-02
 C    4.355700       1.117400      0.1030000    
 C    6.676300      0.3064000      1.8200001E-02
 C    4.790500       2.449900      0.1422000    
 C    7.093600       1.641100      5.7999998E-02
 C    6.171500       2.693200      0.1187000    
 H   -7.071500      0.5316000       2.086000    
 H   -7.706300     -0.1484000      0.5683000    
 H   -6.444800      0.6540000      -1.631100    
 H   -5.117700       1.811400      -1.352500    
 H   -7.611700       2.739900       1.440200    
 H   -8.840400       1.901900      0.4784000    
 H   -7.736900       2.599800      -1.459100    
 H   -6.546300       3.424300     -0.4396000    
 H   -5.701400      -1.240300     -0.2820000    
 H   -5.027600     -0.9540000       1.310200    
 H   -3.171200      0.3411000      0.3450000    
 H   -3.779700      2.6600000E-02  -1.310500    
 H   -1.697400      -3.600000      0.7000000    
 H   -1.459800      0.2712000      -1.202300    
 H   0.7618000      -3.650800      0.8711000    
 H   0.9379000      0.2259000      -1.038000    
 H    2.807500      -2.680500      0.1529000    
 H    7.381100     -0.5143000     -2.9100001E-02
 H    4.085000       3.272800      0.1892000    
 H    8.157300       1.866200      4.1200001E-02
 H    6.532100       3.718400      0.1483000    


%chk=000038053-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038053

0 1
O -3.105667 -1.453571 0.224567
O 4.832949 -1.206737 -0.033471
N -6.132762 0.717246 0.306636
N 2.542779 -1.702628 0.036370
N 3.364151 0.615331 -0.018162
C -7.523503 0.546588 0.801271
C -6.228106 1.425340 -1.004955
C -8.167340 1.903256 0.456334
C -7.553389 2.247961 -0.934713
C -5.317144 -0.508799 0.302725
C -3.824534 -0.168544 0.211108
C -1.703095 -1.414272 0.172464
C -1.056470 -2.675712 0.175566
C -0.927475 -0.230388 0.121282
C 1.126001 -1.561707 0.079307
C 0.344442 -2.748111 0.129218
C 0.482038 -0.300617 0.074938
C 3.480449 -0.709097 -0.003463
C 5.607834 -0.013559 -0.069578
C 4.705916 1.089350 -0.059727
C 6.997696 0.109600 -0.108287
C 5.216117 2.402181 -0.089752
C 7.498240 1.437742 -0.138368
C 6.623243 2.557328 -0.129091
H -7.524628 0.325017 1.883593
H -8.063737 -0.283897 0.277335
H -6.267403 0.696491 -1.852663
H -5.343937 2.069493 -1.163264
H -7.864859 2.654357 1.206696
H -9.269881 1.855310 0.435527
H -8.235304 1.942749 -1.748133
H -7.375751 3.331331 -1.041780
H -5.583943 -1.198789 -0.537504
H -5.490027 -1.056667 1.246948
H -3.524756 0.454543 1.076723
H -3.590301 0.378164 -0.725292
H -1.668544 -3.581529 0.215155
H -1.402636 0.754780 0.119555
H 0.833471 -3.730571 0.132851
H 1.085998 0.609467 0.037597
H 2.919581 -2.651953 0.040075
H 7.660735 -0.759490 -0.114822
H 4.543435 3.264417 -0.082421
H 8.580860 1.599154 -0.169001
H 7.049356 3.566144 -0.152794


