%chk=000124765.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124765

0 1
 O   -3.109200       2.400800     -0.6739000    
 O  -3.5200000E-02 -0.5875000       1.657600    
 O   -3.266400      -2.412100       1.376900    
 O   -1.830700      -2.591700     -0.3844000    
 O    2.793000     -0.6767000      -1.742500    
 N   -1.308300      8.5000001E-02 -0.1551000    
 N    2.140900     -6.0400002E-02  0.4010000    
 N    5.153600      -1.666000     -0.7482000    
 C   -2.584800     -0.4158000      0.3461000    
 C   -3.631000      4.0300000E-02 -0.6743000    
 C   -2.955400       1.191800      -1.410200    
 C   -1.485500      0.8017000      -1.416900    
 C    1.036500      0.7819000      3.4699999E-02
 C  -0.1434000      2.9700000E-02  0.5962000    
 C    1.144800       2.192300      0.6233000    
 C   -2.497900      -1.910200      0.3795000    
 C    1.296300       2.149000       2.147900    
 C    2.335400       2.946200      2.0400001E-02
 C    2.939100     -0.7291000     -0.5233000    
 C    4.008000      -1.569100      0.1451000    
 H   -2.744100     -4.9000001E-03   1.348800    
 H   -4.557200      0.3434000     -0.1753000    
 H   -3.871400     -0.7626000      -1.382000    
 H   -3.362100       1.347000      -2.413500    
 H  -0.8356000       1.674700      -1.495900    
 H   -1.262900      9.4099998E-02  -2.222500    
 H    1.000600      0.8249000      -1.056000    
 H   0.2305000       2.752400      0.3905000    
 H    2.301300     -0.2394000       1.388300    
 H   -2.632600       3.098600      -1.155100    
 H    2.199100       1.620700       2.469400    
 H    1.370400       3.169800       2.541700    
 H   0.4293000       1.694600       2.635300    
 H    2.368700       3.975400      0.3938000    
 H    2.252100       2.991100      -1.070700    
 H    3.289100       2.469100      0.2698000    
 H   -3.224000      -3.391400       1.414600    
 H    3.592400      -2.562600      0.3395000    
 H    4.316300      -1.123100       1.095900    
 H    5.567100     -0.7429000     -0.8757000    
 H    5.874100      -2.239000     -0.3107000    


%chk=000124765-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124765

0 1
O -3.430636 2.396081 -0.668040
O -0.216007 -0.777931 1.576915
O -3.233749 -2.302715 1.616433
O -2.002601 -2.669070 -0.323889
O 3.435799 0.043410 -1.459377
N -1.368227 0.217162 -0.157522
N 2.199287 -0.197949 0.500818
N 5.180860 -1.953323 -0.780690
C -2.651041 -0.362345 0.315723
C -3.658817 0.007353 -0.812699
C -3.039413 1.241628 -1.492592
C -1.519433 0.962019 -1.429208
C 1.084910 0.653441 0.067575
C -0.211987 -0.030635 0.539882
C 1.170296 2.119903 0.635114
C -2.543491 -1.882010 0.480023
C 1.229128 2.148642 2.179575
C 2.372333 2.868729 0.016307
C 3.276273 -0.481889 -0.311894
C 4.296396 -1.475815 0.279068
H -2.933546 0.077540 1.285504
H -4.658539 0.236428 -0.415903
H -3.734619 -0.818376 -1.541680
H -3.383665 1.369057 -2.537941
H -0.926822 1.892959 -1.431477
H -1.203117 0.339040 -2.289995
H 1.132927 0.708186 -1.036590
H 0.237176 2.635058 0.319327
H 2.012167 -0.758102 1.341154
H -3.061071 3.228427 -1.058042
H 2.158854 1.671340 2.540164
H 1.225952 3.193739 2.538952
H 0.375934 1.620297 2.639656
H 2.397845 3.914779 0.374136
H 2.330837 2.873418 -1.087736
H 3.322362 2.385113 0.304834
H -3.161678 -3.292051 1.699321
H 3.735292 -2.306054 0.760382
H 4.832480 -0.940664 1.099196
H 5.093110 -1.399112 -1.639471
H 6.139141 -2.165710 -0.505213


