%chk=000114553.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114553

0 1
 O    3.132400       1.706100      0.6845000    
 O    2.566300      -1.914300     -0.8323000    
 O    3.775600      0.7146000      -1.278400    
 N   -2.341400       1.921000      0.3108000    
 N   -2.971200       1.101800      -1.655100    
 C   0.8694000       1.092600      0.7071000    
 C    1.591700      0.2359000     -0.3270000    
 C   0.1240000       2.253400      4.2300001E-02
 C    2.009500       1.601800       1.566700    
 C    1.747600      -1.215200      0.1060000    
 C    2.946300      0.8941000     -0.3995000    
 C   -1.236000       1.836800     -0.4559000    
 C   0.4168000      -1.924300      0.2223000    
 C   -1.619200       1.337400      -1.653300    
 C  -0.2568000      -1.905000       1.431900    
 C  -0.1003000      -2.578300     -0.8830000    
 C   -3.375500       1.463400     -0.4576000    
 C   -2.448500       2.393300       1.670800    
 C   -1.484000      -2.559300       1.539500    
 C   -1.327600      -3.232600     -0.7756000    
 C   -2.019300      -3.223100      0.4357000    
 H   0.1573000      0.5678000       1.341400    
 H    1.132200      0.3012000      -1.319500    
 H   0.7006000       2.666100     -0.7960000    
 H   3.7000000E-03   3.083800      0.7490000    
 H    1.814000       2.576500       2.023200    
 H    2.269500      0.8948000       2.362100    
 H    2.272000      -1.288400       1.067700    
 H    3.472300      -1.571000     -0.7540000    
 H   -1.014400       1.129200      -2.523800    
 H   0.1597000      -1.418500       2.309000    
 H   0.4122000      -2.587300      -1.840200    
 H   -4.394300       1.415900     -9.7400002E-02
 H   -3.469300       2.237800       2.029700    
 H   -1.752700       1.829600       2.296500    
 H   -2.210800       3.459800       1.686700    
 H   -2.019700      -2.557000       2.484200    
 H   -1.746400      -3.746500      -1.635800    
 H   -2.974600      -3.732800      0.5195000    


%chk=000114553-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114553

0 1
O 3.367216 1.756848 0.575395
O 2.153865 -1.926566 -1.089117
O 3.868574 0.428088 -1.260692
N -2.222973 1.421376 -0.106350
N -2.453278 1.437759 -2.366754
C 0.995126 1.256810 0.845592
C 1.598610 0.324288 -0.231651
C 0.134855 2.404190 0.221060
C 2.242783 1.843520 1.560555
C 1.652582 -1.220093 0.090251
C 3.036868 0.817905 -0.414574
C -1.022771 1.952571 -0.622715
C 0.281575 -1.784938 0.425615
C -1.197286 1.952764 -2.013952
C -0.044608 -2.136532 1.757918
C -0.687713 -1.956290 -0.593863
C -3.041107 1.126659 -1.195493
C -2.542372 1.157433 1.301348
C -1.325820 -2.646725 2.074137
C -1.966416 -2.465681 -0.280916
C -2.291327 -2.810120 1.053769
H 0.377431 0.685562 1.560122
H 1.055691 0.411001 -1.191045
H 0.790913 3.030417 -0.413352
H -0.212662 3.059104 1.046476
H 2.141426 2.908291 1.825645
H 2.546467 1.264920 2.450594
H 2.337230 -1.377429 0.954529
H 2.949623 -1.436994 -1.442892
H -0.502968 2.308682 -2.773231
H 0.712303 -2.039852 2.547012
H -0.425618 -1.715986 -1.629261
H -4.035389 0.699742 -1.081891
H -3.636929 1.104909 1.420394
H -2.107311 0.199715 1.637998
H -2.167411 1.974189 1.941821
H -1.562062 -2.931658 3.105580
H -2.705284 -2.600503 -1.078544
H -3.280733 -3.216277 1.292684


