%chk=000146388.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146388

0 1
 S   -5.564300      -1.819800      0.1193000    
 N    1.384900      0.1574000      0.4881000    
 N    5.032300     -0.3940000     -5.9900001E-02
 N   -2.655500      0.8360000      0.4245000    
 N   -3.412700     -0.2835000      0.4344000    
 N   -5.386400      0.7186000     -0.4411000    
 C    2.784600     -7.5199999E-02  0.8546000    
 C    3.631400     -0.1897000     -0.4063000    
 C   0.9354000       1.487100      0.3403000    
 C   0.5575000     -0.9569000      0.2217000    
 C  -0.4440000       1.741000      0.2185000    
 C  -0.8363000     -0.7755000      8.9699998E-02
 C   -1.394100      0.5974000      0.2516000    
 C    5.189600      -1.589200      0.7709000    
 C    5.851800     -0.5049000      -1.268300    
 C    1.799500       2.596800      0.2860000    
 C    1.059900      -2.261400      4.6900000E-02
 C  -0.9369000       3.048000      7.8699999E-02
 C   -1.679100      -1.859900     -0.2016000    
 C    1.310400       3.899000      0.1426000    
 C   0.2170000      -3.339700     -0.2326000    
 C    6.636500      -1.776800       1.194600    
 C    5.704100      0.7259000      -2.146600    
 C  -5.6499999E-02   4.124400      4.3299999E-02
 C   -1.150700      -3.138700     -0.3564000    
 C   -4.709000     -0.2881000      1.2600000E-02
 C   -7.133400     -0.9576000     -6.0400002E-02
 C   -6.736100      0.2793000     -0.8450000    
 H    2.811200     -0.9647000       1.490000    
 H    3.164400      0.7163000       1.514100    
 H    3.272800     -0.9916000      -1.062400    
 H    3.505500      0.7386000     -0.9702000    
 H    4.826300      -2.493600      0.2675000    
 H    4.653700      -1.494300       1.718000    
 H    5.607000      -1.403200      -1.849100    
 H    6.914300     -0.5571000      -1.009300    
 H    2.878100       2.491400      0.3544000    
 H    2.118400      -2.488900      0.1251000    
 H   -2.001200       3.247300     -1.2600000E-02
 H   -2.676700      -1.831800     -0.6113000    
 H    2.002500       4.735600      0.1083000    
 H   0.6353000      -4.332600     -0.3705000    
 H    7.267000      -2.144200      0.3791000    
 H    7.068200     -0.8507000       1.589500    
 H    6.692100      -2.527500       1.991400    
 H    4.754800      0.7411000      -2.691100    
 H    5.802200       1.652500      -1.570600    
 H    6.495300      0.7303000      -2.905100    
 H  -0.4359000       5.135800     -6.8099998E-02
 H   -1.795200      -3.967000     -0.6371000    
 H   -3.191500     -0.9698000       1.154900    
 H   -7.508600     -0.6883000      0.9318000    
 H   -7.883300      -1.559600     -0.5796000    
 H   -6.738600      8.1900001E-02  -1.924300    
 H   -7.454500       1.085600     -0.6627000    


%chk=000146388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146388

0 1
S -6.178176 -1.531964 0.635083
N 1.320294 -0.131458 0.084772
N 5.133738 -0.460634 0.115186
N -2.755565 0.499803 -0.335656
N -3.703540 -0.465094 -0.018514
N -5.567775 1.077498 0.001654
C 2.699243 -0.234629 0.614216
C 3.776251 -0.474766 -0.478075
C 0.839488 1.131794 -0.358396
C 0.541997 -1.294667 -0.094721
C -0.545379 1.292143 -0.677937
C -0.851949 -1.186987 -0.443815
C -1.474204 0.157057 -0.485424
C 5.525998 -1.777972 0.689687
C 6.170408 0.107979 -0.789744
C 1.707775 2.255911 -0.474082
C 1.120052 -2.591825 0.039435
C -1.021083 2.558359 -1.107146
C -1.559864 -2.379296 -0.775955
C 1.213227 3.502085 -0.900824
C 0.371120 -3.751384 -0.225885
C 6.554297 -1.657665 1.830664
C 6.073090 1.638477 -0.933937
C -0.156677 3.659868 -1.224679
C -0.967741 -3.650899 -0.670452
C -5.027401 -0.088868 0.157339
C -7.483826 -0.203393 0.983268
C -7.039183 1.044192 0.150041
H 2.728149 -1.039664 1.368205
H 2.950021 0.693008 1.152985
H 3.560764 -1.424705 -1.023681
H 3.699645 0.333433 -1.225453
H 5.916375 -2.464781 -0.103394
H 4.613994 -2.257970 1.093032
H 6.135675 -0.371446 -1.800596
H 7.157953 -0.139397 -0.360297
H 2.771404 2.169453 -0.239179
H 2.169950 -2.702543 0.319638
H -2.090768 2.647481 -1.317430
H -2.571379 -2.304022 -1.187235
H 1.901799 4.350261 -0.984903
H 0.844881 -4.733217 -0.117802
H 7.503100 -1.208215 1.486258
H 6.152117 -1.022477 2.638745
H 6.789834 -2.655513 2.245465
H 5.117497 1.952857 -1.392697
H 6.154661 2.120313 0.055992
H 6.887366 2.015971 -1.579947
H -0.539893 4.629695 -1.557813
H -1.536854 -4.547070 -0.936260
H -3.423108 -1.388150 0.337344
H -7.478171 -0.000317 2.065903
H -8.466967 -0.586974 0.670820
H -7.497154 1.011994 -0.859571
H -7.382009 1.969830 0.645969


