%chk=000059636.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059636

2 1
 O   -4.767300       1.742800      0.5270000    
 N    3.699200      0.2983000      0.5437000    
 N    1.203500      -1.103200     -0.2105000    
 N   -3.093400     -0.4788000     -0.2488000    
 C    2.318100      0.7807000       1.036500    
 C    3.496700     -0.2936000     -0.8675000    
 C    1.335300     -0.4118000       1.075500    
 C    2.495700      -1.469500     -0.7982000    
 C    1.804100       1.917900      0.1306000    
 C    3.021400      0.8075000      -1.836800    
 C    1.798200       1.594600      -1.364200    
 C    4.734500       1.441900      0.5393000    
 C    4.309000     -0.7415000       1.508300    
 C   0.3211000      -2.261700     -0.1031000    
 C   -1.079800      -1.825000      0.3212000    
 C   -1.674200     -0.8532000     -0.6881000    
 C   -3.666300      0.5247000      -1.256100    
 C   -3.018000      0.1785000       1.134100    
 C   -3.914900      -1.765900     -0.2123000    
 C   -4.966600       1.121700     -0.7407000    
 C   -4.356200      0.7956000       1.510100    
 H    2.463100       1.164900       2.054000    
 H    4.474000     -0.6687000      -1.195700    
 H    1.622400      -1.110900       1.869900    
 H   0.3758000      1.6100001E-02   1.384700    
 H    2.328600      -1.829600      -1.821900    
 H    2.943400      -2.313000     -0.2594000    
 H    2.404000       2.820100      0.2978000    
 H   0.7876000       2.198100      0.4353000    
 H    2.799400      0.3625000      -2.815200    
 H    3.843100       1.507300      -2.028700    
 H   0.8905000       1.035400      -1.614600    
 H    1.722600       2.527000      -1.936900    
 H    4.415800       2.252000     -0.1158000    
 H    4.832300       1.816100       1.563000    
 H    5.687000       1.036900      0.1839000    
 H    4.428500     -0.2681000       2.487600    
 H    3.661200      -1.612100       1.601300    
 H    5.280100      -1.048500       1.107800    
 H   0.7132000      -2.996000      0.6122000    
 H   0.2485000      -2.767700      -1.074400    
 H   -1.054700      -1.454700       1.346600    
 H   -1.661400      -2.752200      0.3565000    
 H   -1.740800      -1.293300      -1.690200    
 H   -1.105000      7.9499997E-02 -0.7499000    
 H   -3.804200      4.9000001E-03  -2.210200    
 H   -2.915100       1.314500      -1.374200    
 H   -2.243800      0.9526000       1.079700    
 H   -2.757600     -0.5715000       1.884500    
 H   -4.975200      -1.514800     -0.1476000    
 H   -3.734000      -2.328100      -1.133300    
 H   -3.654200      -2.349200      0.6742000    
 H   -5.302100       1.900500      -1.433800    
 H   -5.779500      0.3918000     -0.6736000    
 H   -5.138400      4.0300000E-02   1.645700    
 H   -4.257100       1.330300       2.460300    


%chk=000059636-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059636

2 1
O -5.191860 1.712246 0.009563
N 3.993870 0.215756 0.417422
N 1.259490 -0.943248 0.018477
N -3.328140 -0.579352 -0.232700
C 2.744085 0.736140 1.208440
C 3.460289 -0.186035 -1.000664
C 1.700735 -0.402486 1.331977
C 2.413175 -1.315599 -0.850838
C 2.201111 2.024160 0.542253
C 2.938539 1.069909 -1.743084
C 1.856956 1.858558 -0.960953
C 5.082803 1.288851 0.323097
C 4.655656 -0.967931 1.127646
C 0.319627 -2.092869 0.162885
C -1.117951 -1.708151 0.601207
C -1.830770 -0.895326 -0.493987
C -3.840477 0.251447 -1.447175
C -3.474793 0.280876 1.048716
C -4.128748 -1.875702 -0.116559
C -5.221810 0.877743 -1.193968
C -4.880871 0.890577 1.180336
H 3.112725 0.971948 2.224694
H 4.332394 -0.599875 -1.541057
H 2.085155 -1.208432 2.004012
H 0.832932 0.036038 1.857428
H 2.033769 -1.528230 -1.866711
H 2.910070 -2.253927 -0.507315
H 2.915994 2.851851 0.695938
H 1.296365 2.319788 1.104732
H 2.523682 0.724323 -2.707458
H 3.786947 1.723306 -2.014104
H 0.898693 1.322404 -1.050842
H 1.728628 2.855479 -1.418496
H 4.712281 2.189489 -0.174729
H 5.412973 1.541955 1.342734
H 5.928959 0.876478 -0.248408
H 5.018455 -0.628186 2.110214
H 3.952922 -1.795665 1.267134
H 5.506704 -1.310602 0.518772
H 0.710860 -2.841153 0.893672
H 0.269219 -2.608193 -0.815003
H -1.085888 -1.152981 1.556089
H -1.646675 -2.658973 0.796455
H -1.808074 -1.442693 -1.454365
H -1.325368 0.075030 -0.640143
H -3.847848 -0.419479 -2.323798
H -3.098153 1.052379 -1.601946
H -2.730041 1.090208 0.959145
H -3.231940 -0.356934 1.914430
H -5.203316 -1.649647 -0.112561
H -3.893248 -2.517850 -0.979238
H -3.867648 -2.391115 0.818639
H -5.460693 1.554820 -2.029402
H -6.029320 0.119764 -1.127788
H -5.661037 0.118224 1.342079
H -4.893294 1.573288 2.044703


