%chk=000130180.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130180

0 1
 O    1.418000       2.219800       1.194600    
 O   0.5082000      -1.296000      -1.284600    
 O    3.674200      -2.071600       1.010500    
 N  -0.2887000      -1.162000      0.8907000    
 N    2.956600     -0.3461000     -0.3788000    
 C    1.756200      8.9999998E-04  0.3368000    
 C    1.409800       1.449400      9.6100003E-02
 C   0.6156000     -0.8939000     -0.1277000    
 C   -1.474300      -1.960100      0.6846000    
 C   -2.650300      -1.123000      0.2718000    
 C    1.089600       2.124800      -1.026600    
 C    3.817200      -1.357800      2.1299999E-02
 C   0.8723000       3.456900     -0.6008000    
 C   -3.490600     -0.5916000       1.243100    
 C   -2.887400     -0.8879000      -1.077400    
 C    1.084500       3.462800      0.7582000    
 C   -4.583300      0.1862000      0.8599000    
 C   -3.980200     -0.1102000      -1.460700    
 C    4.980400      -1.527400     -0.9189000    
 C   -4.828100      0.4268000     -0.4921000    
 H    1.939400     -0.1696000       1.405000    
 H   -1.685200      -2.483400       1.624300    
 H   -1.271100      -2.731800     -6.7699999E-02
 H  -0.1406000     -0.7618000       1.812600    
 H    3.155300      0.1384000      -1.250300    
 H    1.014600       1.736300      -2.031900    
 H   0.5956000       4.306500      -1.208300    
 H   -3.308200     -0.7709000       2.299100    
 H   -2.237400      -1.302900      -1.842300    
 H    1.040400       4.228900       1.518500    
 H   -5.243200      0.6048000       1.614000    
 H   -4.171200      7.6600000E-02  -2.513400    
 H    5.746600      -2.149400     -0.4478000    
 H    4.637400      -2.010900      -1.837600    
 H    5.419800     -0.5553000      -1.160600    
 H   -5.678900       1.032300     -0.7905000    


%chk=000130180-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130180

0 1
O 2.727859 2.897356 -0.029867
O 0.054432 0.305942 -2.213551
O 1.746207 -1.246289 1.740049
N -0.318286 -0.829232 -0.204011
N 2.676417 -0.180894 -0.094605
C 1.530705 0.761605 -0.242487
C 1.977170 2.041151 -0.880495
C 0.349617 0.071342 -1.001281
C -1.435714 -1.646194 -0.708412
C -2.756202 -1.357709 0.000989
C 1.850320 2.631720 -2.127476
C 2.727128 -1.098907 0.933282
C 2.539031 3.905703 -2.070614
C -3.499483 -2.404122 0.598451
C -3.269027 -0.035932 0.049241
C 3.056048 4.030570 -0.793331
C -4.736621 -2.139502 1.231368
C -4.502502 0.231472 0.680856
C 4.004301 -1.915192 1.056402
C -5.241494 -0.820483 1.274055
H 1.184495 0.966857 0.790148
H -1.181520 -2.718553 -0.606105
H -1.516917 -1.418030 -1.787682
H 0.063704 -1.006597 0.740830
H 3.449102 -0.092552 -0.757190
H 1.307378 2.193659 -2.960382
H 2.629944 4.631976 -2.875789
H -3.109408 -3.429567 0.571361
H -2.698605 0.778740 -0.412491
H 3.634654 4.792051 -0.278015
H -5.301013 -2.958337 1.691802
H -4.890197 1.256156 0.709701
H 4.454085 -1.726238 2.046490
H 3.756889 -2.989391 1.009826
H 4.749341 -1.682239 0.276947
H -6.198833 -0.612539 1.765085


