%chk=000146445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146445

0 1
 O   -6.222300      -1.489300     -0.7069000    
 N    4.460400      0.5535000     -0.2981000    
 N    5.170800     -0.6380000     -0.2154000    
 N    7.362700      -1.493700     -0.6755000    
 N    6.874800      0.7017000      -1.081400    
 C   -3.219700      0.5924000     -0.5455000    
 C   -3.937500     -0.7070000     -0.1302000    
 C   -1.943600      0.8470000      0.2625000    
 C  -0.9621000     -0.3472000      4.0700000E-02
 C   0.4089000     -0.1614000      0.7986000    
 C   -2.995400      -1.882300     -0.4199000    
 C   -1.646400      -1.717500      0.3036000    
 C   -5.163800     -0.6204000      -1.061400    
 C   -4.333600       1.636600     -0.5278000    
 C   -1.273700       2.164000     -0.1489000    
 C   -5.578300      0.8636000      -1.001400    
 C   0.9728000       1.234900      0.4996000    
 C   1.3600000E-02   2.394600      0.6321000    
 C   -4.378500     -0.7524000       1.354500    
 C    1.396500      -1.257400      0.2987000    
 C   0.2456000     -0.2974000       2.329700    
 C    2.847800     -0.9712000      0.6502000    
 C    2.248800       1.473400      0.1517000    
 C    3.248400      0.3805000      0.1201000    
 C    6.403800     -0.5072000     -0.6295000    
 H   -2.911700      0.4974000      -1.600500    
 H   -2.199600      0.9237000       1.324800    
 H  -0.7236000     -0.3417000      -1.035700    
 H   -2.804400      -1.954700      -1.498600    
 H   -3.458700      -2.831400     -0.1250000    
 H   -1.798700      -1.865600       1.377200    
 H  -0.9925000      -2.531400     -2.8600000E-02
 H   -4.875800     -0.8669000      -2.091000    
 H   -4.115200       2.481100      -1.189300    
 H   -4.492900       2.036500      0.4798000    
 H   -1.951400       3.006000      3.4100000E-02
 H   -1.057100       2.158200      -1.225100    
 H   -6.422400       1.034600     -0.3242000    
 H   -5.894600       1.204400      -1.993800    
 H  -0.2219000       2.542400       1.693300    
 H   0.4700000       3.330400      0.2868000    
 H   -5.093600      3.8400002E-02   1.602200    
 H   -4.863300      -1.708700       1.583100    
 H   -3.540800     -0.6495000       2.049200    
 H    1.322000      -1.347900     -0.7941000    
 H    1.124500      -2.236600      0.7112000    
 H  -0.5435000      0.3512000       2.722500    
 H   3.0000001E-04  -1.324400       2.619800    
 H    1.167800     -2.9100001E-02   2.858400    
 H    3.413500      -1.808000      0.2320000    
 H    3.005900     -0.9793000       1.734400    
 H    2.607200       2.472700     -7.1699999E-02
 H   -6.625600      -1.166800      0.1162000    
 H    7.156300      -2.439100     -0.3718000    
 H    8.300500      -1.305500      -1.012400    
 H    7.830300      0.8105000      -1.403500    
 H    6.279400       1.522500      -1.105300    


%chk=000146445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146445

0 1
O -6.395033 -1.456237 -0.686536
N 4.547189 0.410653 -0.293447
N 5.454667 -0.678786 -0.211105
N 7.690561 -1.233795 -0.584722
N 6.971974 0.997351 -1.009725
C -3.260630 0.612068 -0.523987
C -4.020439 -0.678569 -0.091224
C -1.945292 0.844034 0.248380
C -1.015237 -0.397845 0.041620
C 0.389583 -0.263008 0.763258
C -3.102266 -1.890438 -0.364689
C -1.741954 -1.735852 0.367955
C -5.275720 -0.562609 -1.012127
C -4.353244 1.715458 -0.528396
C -1.230827 2.131426 -0.222613
C -5.649628 0.959020 -0.976856
C 1.013383 1.097772 0.399015
C 0.120750 2.320763 0.504151
C -4.475380 -0.662043 1.391950
C 1.316285 -1.414653 0.257324
C 0.251977 -0.342784 2.316775
C 2.815731 -1.215546 0.566741
C 2.335946 1.228981 0.053731
C 3.299658 0.135294 0.074625
C 6.682273 -0.286142 -0.602338
H -2.968403 0.446882 -1.588177
H -2.176480 0.956941 1.329795
H -0.785552 -0.414380 -1.050073
H -2.921514 -1.965427 -1.457912
H -3.593311 -2.833871 -0.055617
H -1.907977 -1.818807 1.459263
H -1.093308 -2.586420 0.088426
H -5.001170 -0.874296 -2.036729
H -4.103219 2.547581 -1.209501
H -4.472567 2.149269 0.482992
H -1.877061 3.013084 -0.044465
H -1.056481 2.069198 -1.317231
H -6.479823 1.122936 -0.261683
H -6.012919 1.297397 -1.962618
H -0.093688 2.529531 1.575708
H 0.651791 3.209067 0.113096
H -5.162081 0.177111 1.612353
H -4.996025 -1.607181 1.635773
H -3.623521 -0.571772 2.085855
H 1.195019 -1.499738 -0.842178
H 0.985250 -2.375952 0.694143
H -0.439622 0.423651 2.710376
H -0.119631 -1.333621 2.635265
H 1.233077 -0.180588 2.797464
H 3.429338 -2.010626 0.108199
H 3.001679 -1.284306 1.658631
H 2.732873 2.216503 -0.217628
H -6.804530 -1.148328 0.161771
H 7.435357 -2.167711 -0.274760
H 8.644425 -1.029908 -0.863386
H 7.889748 1.314508 -1.302268
H 6.156395 1.617959 -0.988146


