%chk=000051204.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051204

0 1
 O  -0.4136000       1.611600     -0.5350000    
 N    3.156700       1.011500      0.8848000    
 N    2.452300      0.6648000      -1.252400    
 C   -1.077500      -1.140200     -6.5600000E-02
 C   -1.429300      -2.145200      -1.176400    
 C  -0.9041000      -1.852800       1.287200    
 C  -0.4002000      -3.271600      -1.256600    
 C   0.1229000      -2.980400       1.196700    
 C  -0.2239000      -3.970300      8.8399999E-02
 C   -2.089300     -1.1600000E-02  1.5500000E-02
 C   -1.704400       1.306500     -0.2238000    
 C   -3.413900     -0.3075000      0.3329000    
 C    3.860900     -0.1990000      0.5642000    
 C   -2.647000       2.331700     -0.1453000    
 C    1.685300       2.722700     -0.1650000    
 C   0.2729000       2.498900      0.3455000    
 C    2.431200       1.429300     -0.1901000    
 C   -4.356500      0.7178000      0.4113000    
 C    3.290800     -0.5044000     -0.8367000    
 C   -3.973000       2.037400      0.1723000    
 C    5.359900      5.0600000E-02  0.5482000    
 H  -9.5799997E-02 -0.7237000     -0.3243000    
 H   -1.480200      -1.632100      -2.144800    
 H   -2.418800      -2.586900      -1.004800    
 H   -1.856700      -2.273500       1.632500    
 H  -0.5849000      -1.133400       2.051600    
 H   0.5631000      -2.863100      -1.585700    
 H  -0.7115000      -4.001200      -2.012600    
 H   0.1773000      -3.506300       2.156500    
 H    1.116600      -2.555000       1.009900    
 H   -1.149000      -4.499300      0.3485000    
 H   0.5653000      -4.726400      9.8999999E-03
 H   -3.737000      -1.327100      0.5230000    
 H    3.613600     -0.9994000       1.269200    
 H   -2.373500       3.363600     -0.3464000    
 H    1.660200       3.124600      -1.184200    
 H    2.213800       3.435700      0.4759000    
 H  -0.2358000       3.467800      0.3935000    
 H   0.2941000       2.062000       1.351800    
 H    4.076100     -0.6777000      -1.579800    
 H    2.650900      -1.393200     -0.8047000    
 H   -5.389100      0.4887000      0.6575000    
 H    3.267700       1.511100       1.758800    
 H   -4.708000       2.835000      0.2292000    
 H    5.713400      0.3432000       1.542900    
 H    5.899300     -0.8531000      0.2468000    
 H    5.628600      0.8553000     -0.1455000    


%chk=000051204-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051204

0 1
O -0.206581 1.193537 -0.525302
N 2.984200 1.510513 0.944325
N 3.297967 0.236229 -0.944033
C -1.273938 -1.414349 -0.329282
C -2.089859 -2.177578 -1.412450
C -0.872177 -2.384675 0.820673
C -1.306428 -3.398107 -1.952374
C -0.090389 -3.606410 0.280266
C -0.894850 -4.355385 -0.808809
C -2.025079 -0.193848 0.198222
C -1.470001 1.116605 0.095316
C -3.292789 -0.315826 0.814496
C 3.999431 0.536556 1.422871
C -2.161858 2.250972 0.586688
C 1.850509 2.250681 -1.200641
C 0.470300 2.491470 -0.571800
C 2.726046 1.301033 -0.416872
C -3.997064 0.804938 1.312272
C 4.051201 -0.430158 0.175910
C -3.427329 2.090245 1.195235
C 5.355592 1.205408 1.736131
H -0.339151 -1.061191 -0.803493
H -2.343469 -1.486563 -2.239524
H -3.051281 -2.523863 -0.979076
H -1.786389 -2.735682 1.343569
H -0.265446 -1.838127 1.568562
H -0.393954 -3.041476 -2.473243
H -1.915902 -3.937357 -2.703972
H 0.161608 -4.293115 1.112475
H 0.870289 -3.258370 -0.153424
H -1.807651 -4.792884 -0.352325
H -0.300770 -5.199443 -1.210532
H -3.738436 -1.313379 0.907224
H 3.630287 0.008842 2.322625
H -1.733757 3.253967 0.495917
H 1.731076 1.825315 -2.209943
H 2.354444 3.233266 -1.304518
H -0.111299 3.204123 -1.192877
H 0.552440 2.910504 0.454009
H 5.092045 -0.632411 -0.137047
H 3.569247 -1.401482 0.396699
H -4.977354 0.675244 1.783268
H 2.728323 2.347215 1.464844
H -3.961193 2.969995 1.571990
H 5.265210 1.955270 2.544840
H 6.090889 0.445998 2.061625
H 5.753192 1.709152 0.836285


