%chk=000131032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131032

0 1
 O    1.012000     -0.5180000       1.662100    
 O    1.715100      -2.887600     -0.9982000    
 N   -3.379300      -1.265800      -1.132600    
 N  -0.7352000      0.9909000      0.2653000    
 N    2.488700     -0.4444000     -0.1280000    
 N    3.498100      -3.947800     -6.6999998E-03
 C   -2.803600     -0.1834000     -0.3326000    
 C   -3.069100     -0.6530000       1.090000    
 C   -4.401900      -1.386700      0.9993000    
 C   -1.328000      1.3700000E-02 -0.6329000    
 C   -4.652500      -1.583300     -0.4896000    
 C   0.6871000       1.173200     -3.6300000E-02
 C    1.174700       2.522700      0.5148000    
 C   0.5223000       3.757000     -0.1447000    
 C    1.399100     -8.9999996E-03  0.6117000    
 C   0.9962000       5.072100      0.4757000    
 C   0.8222000       3.758000      -1.646400    
 C    3.307000      -1.569200      0.2634000    
 C    2.747100      -2.839400     -0.3343000    
 H   -3.354000      0.7459000     -0.5326000    
 H   -2.294200      -1.348000       1.437900    
 H   -3.117500      0.1783000       1.800900    
 H   -4.344800      -2.344700       1.527500    
 H   -5.207200     -0.7984000       1.452200    
 H   -1.222100      0.3425000      -1.675200    
 H  -0.8072000     -0.9486000     -0.5457000    
 H   -5.429000     -0.8952000     -0.8429000    
 H   -4.978300      -2.601900     -0.7214000    
 H   -2.771700      -2.084200      -1.075400    
 H   0.8630000       1.139900      -1.117200    
 H   -1.245100       1.865600      0.1694000    
 H   0.9965000       2.560400       1.598500    
 H    2.265300       2.581500      0.3972000    
 H  -0.5644000       3.729000     -1.1900000E-02
 H   0.7696000       5.096200       1.546800    
 H   0.4989000       5.928600      8.2999999E-03
 H    2.077400       5.199100      0.3556000    
 H    1.895900       3.664700      -1.841400    
 H   0.3026000       2.946800      -2.164500    
 H   0.4799000       4.691400      -2.107300    
 H    2.728400      3.2900002E-02 -0.9920000    
 H    3.328700      -1.654500       1.354300    
 H    4.319100      -1.398800     -0.1151000    
 H    4.340600      -3.885200      0.5560000    
 H    3.231300      -4.872500     -0.3279000    


%chk=000131032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131032

0 1
O 0.263540 -0.616959 1.528196
O 4.047069 -1.821038 -1.362701
N -4.377771 -0.604015 -0.808489
N -1.099240 1.246275 -0.208427
N 1.899645 -0.823520 -0.092168
N 4.418380 -3.500919 0.199714
C -3.403417 0.301045 -0.138835
C -3.388002 -0.188976 1.332611
C -3.637345 -1.715012 1.209412
C -1.989016 0.232193 -0.783387
C -4.637868 -1.815821 0.026680
C 0.343182 1.074306 -0.314535
C 1.086465 2.300072 0.292291
C 0.827876 3.662998 -0.408422
C 0.802483 -0.193435 0.459613
C 1.598816 4.777807 0.339637
C 1.215214 3.640969 -1.906015
C 2.515875 -1.974545 0.552307
C 3.723111 -2.416818 -0.291575
H -3.751478 1.355022 -0.195237
H -2.425949 0.056193 1.812175
H -4.208440 0.289088 1.899719
H -2.688695 -2.230722 0.970757
H -4.035825 -2.155870 2.139676
H -2.096355 0.319824 -1.896393
H -1.558307 -0.766286 -0.578946
H -5.680630 -1.807124 0.405408
H -4.506113 -2.749827 -0.555228
H -4.180545 -0.787186 -1.798073
H 0.691484 0.944110 -1.374497
H -1.420548 2.210362 -0.325081
H 0.793060 2.373302 1.357648
H 2.176467 2.099072 0.262046
H -0.253804 3.907677 -0.334196
H 1.309272 4.820751 1.406034
H 1.401315 5.769145 -0.108537
H 2.690140 4.596627 0.291771
H 2.283797 3.377518 -2.028476
H 0.617283 2.909729 -2.479853
H 1.058064 4.634050 -2.366319
H 2.336385 -0.518731 -0.970688
H 1.789321 -2.806746 0.648584
H 2.835525 -1.722804 1.583687
H 4.149567 -3.971659 1.062350
H 5.227711 -3.839323 -0.320139


