%chk=000019527.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019527

0 1
 O   -2.128100      -1.741000       1.140000    
 O   -6.243500      -1.290400      -1.067500    
 N   -1.836800       1.208700      0.7353000    
 N    1.732500      0.2256000       1.196800    
 N   -4.949100      0.6185000     -0.7596000    
 N   -4.193200      -1.540300      3.7300002E-02
 N   -3.375100       2.452100     -0.2932000    
 C    2.818800     -0.1131000      0.2880000    
 C  -0.6126000      0.8840000       1.427500    
 C   0.5102000      0.5209000      0.4600000    
 C   -2.841500      0.3556000      0.3784000    
 C    4.112900     -0.3335000       1.092400    
 C   -3.769100       1.141600     -0.2490000    
 C    2.408700      -1.349500     -0.5122000    
 C   -2.204000       2.459200      0.3095000    
 C   -2.973000      -1.051700      0.5754000    
 C    5.369900     -0.1763000      0.2708000    
 C   -5.210500     -0.7687000     -0.6326000    
 C   -5.912300       1.489400      -1.421700    
 C   -4.443300      -2.971100      0.1769000    
 C    5.903800      -1.282000     -0.3717000    
 C    5.966300       1.070900      0.1738000    
 C    7.064900      -1.136800      -1.130900    
 C    7.127300       1.215900     -0.5857000    
 C    7.676600      0.1120000      -1.238000    
 H    2.979400      0.7225000     -0.4061000    
 H  -0.3343000       1.764600       2.020700    
 H  -0.8161000      7.9700001E-02   2.141600    
 H   0.1561000     -0.3351000     -0.1223000    
 H   0.6765000       1.352700     -0.2360000    
 H    1.566800     -0.5400000       1.849700    
 H    4.103700      -1.318600       1.578700    
 H    4.165600      0.3901000       1.918700    
 H    1.645900      -1.131200      -1.266000    
 H    2.045500      -2.156800      0.1343000    
 H    3.255100      -1.749300      -1.078000    
 H   -1.581800       3.330300      0.4641000    
 H   -6.787200      0.9339000      -1.768700    
 H   -5.430000       1.962000      -2.283000    
 H   -6.239800       2.258300     -0.7152000    
 H   -3.635300      -3.494900      0.6923000    
 H   -4.573800      -3.401600     -0.8211000    
 H   -5.376000      -3.109800      0.7329000    
 H    5.443700      -2.262000     -0.2871000    
 H    5.545000       1.937200      0.6756000    
 H    7.494100      -1.996800      -1.636800    
 H    7.603400       2.188500     -0.6698000    
 H    8.580800      0.2250000      -1.828900    


%chk=000019527-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019527

0 1
O -2.094779 -1.772078 1.025768
O -6.371317 -1.329455 -0.915919
N -1.912104 1.338364 0.761893
N 1.625162 0.028534 0.959399
N -5.131457 0.637884 -0.597953
N -4.241537 -1.516236 0.047268
N -3.631378 2.555552 -0.140085
C 2.848612 -0.086472 0.118556
C -0.591725 1.004681 1.335688
C 0.390022 0.452761 0.273714
C -2.915758 0.423550 0.401074
C 4.060935 -0.321801 1.067204
C -3.951591 1.204558 -0.140705
C 2.753802 -1.170405 -0.986327
C -2.387844 2.590789 0.412371
C -2.989759 -1.008095 0.540910
C 5.409952 -0.244905 0.368209
C -5.315307 -0.762253 -0.516183
C -6.199487 1.486092 -1.162335
C -4.470497 -2.977866 0.121518
C 6.170440 -1.411107 0.097987
C 5.931830 1.009439 -0.046220
C 7.414392 -1.331168 -0.569865
C 7.172876 1.095595 -0.714903
C 7.919637 -0.076516 -0.980732
H 2.989137 0.900543 -0.368313
H -0.169806 1.910892 1.801568
H -0.742031 0.242165 2.118897
H -0.119230 -0.359618 -0.291066
H 0.646396 1.253298 -0.446339
H 1.467922 -0.834023 1.502548
H 3.941840 -1.312481 1.551376
H 3.992924 0.441509 1.865259
H 1.894019 -0.981085 -1.654427
H 2.622451 -2.173513 -0.535675
H 3.668946 -1.188852 -1.604448
H -1.814847 3.500214 0.577470
H -7.029328 0.826213 -1.453597
H -5.821093 2.035213 -2.040619
H -6.538303 2.217365 -0.409587
H -3.572183 -3.427820 0.568487
H -4.647559 -3.384251 -0.887570
H -5.358238 -3.190646 0.739156
H 5.785827 -2.388210 0.416174
H 5.364208 1.924569 0.166718
H 7.987908 -2.244198 -0.766819
H 7.560947 2.073318 -1.023066
H 8.884076 -0.011343 -1.496857


