%chk=000155745.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155745

0 1
 S   -3.796400      0.5174000      0.4290000    
 O   -3.799500      0.1526000       1.834000    
 O   -4.185100       1.858100      2.9600000E-02
 N   0.5208000       2.503900      0.9061000    
 N   -2.235300      0.1927000     -0.1978000    
 N    5.132700     -0.4789000      -1.594700    
 N   -4.768800     -0.6269000     -0.4390000    
 C    1.357900      0.1539000       1.073500    
 C    1.693500       1.644000      0.6487000    
 C   9.1499999E-02 -0.3420000      0.3624000    
 C   -1.061200      0.6303000      0.5970000    
 C    2.306900       1.782900     -0.8003000    
 C  -0.6879000       2.061400      0.2037000    
 C    2.521800     -0.7699000      0.7862000    
 C    3.413500     -0.3948000     -0.2239000    
 C    3.389300      0.7762000      -1.007400    
 C   0.7814000       3.919800      0.6635000    
 C    4.497300      -1.170800     -0.5866000    
 C    2.763500      -1.992200       1.421200    
 C    4.467900      0.7030000      -1.857500    
 C    4.757500      -2.389600      4.1299999E-02
 C    3.863700      -2.781900       1.053600    
 C   -4.770800     -0.5054000      -1.923300    
 C   -4.609100      -2.045100     -1.6600000E-02
 C   -6.078500      -1.005200      -2.513300    
 C   -5.566600      -2.393500       1.110400    
 H    1.182800      0.1499000       2.158800    
 H    2.484300       1.970100       1.342700    
 H   0.2740000     -0.4559000     -0.7151000    
 H  -0.1858000      -1.340000      0.7265000    
 H   -1.308800      0.5983000       1.665300    
 H    2.719200       2.788600     -0.9397000    
 H    1.537400       1.627300      -1.564400    
 H  -0.5690000       2.145400     -0.8842000    
 H   -1.523100       2.721000      0.4722000    
 H   -2.113600      0.3557000      -1.206500    
 H   0.9025000       4.150600     -0.4003000    
 H    1.680500       4.247900       1.196600    
 H  -4.5699999E-02   4.528200       1.046500    
 H    2.096400      -2.339500       2.205900    
 H    4.831200       1.373700      -2.623300    
 H    5.966400     -0.7891000      -2.074200    
 H    5.603900      -3.007900     -0.2347000    
 H    4.029900      -3.727500       1.565200    
 H   -4.655900      0.5468000      -2.205400    
 H   -3.924500      -1.054700      -2.350800    
 H   -4.779600      -2.736900     -0.8475000    
 H   -3.576800      -2.227500      0.3044000    
 H   -6.229700      -2.075400      -2.346700    
 H   -6.930400     -0.4767000      -2.072300    
 H   -6.093700     -0.8327000      -3.594200    
 H   -5.390500      -1.792300       2.005700    
 H   -6.603800      -2.229700      0.7995000    
 H   -5.456700      -3.446700       1.387300    


%chk=000155745-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155745

0 1
S -3.853513 0.844692 -0.481474
O -3.865019 1.280916 1.079393
O -4.227865 1.894051 -1.665782
N 0.437541 2.252758 1.034399
N -2.117384 0.125933 -0.856289
N 5.505876 -0.203425 -1.293211
N -5.021603 -0.610375 -0.663729
C 1.304997 -0.058865 0.864519
C 1.667425 1.464897 0.776308
C 0.147153 -0.411876 -0.116727
C -1.078885 0.494490 0.148935
C 2.426373 1.869133 -0.548108
C -0.676207 1.988526 0.106459
C 2.522161 -0.938662 0.608952
C 3.544078 -0.380759 -0.189727
C 3.592604 0.936549 -0.767155
C 0.654950 3.682534 1.313836
C 4.739610 -1.086469 -0.519625
C 2.724613 -2.251672 1.077490
C 4.811345 1.022320 -1.437361
C 4.940495 -2.408926 -0.058480
C 3.915856 -2.968510 0.740036
C -5.168599 -0.984519 -2.106463
C -4.636754 -1.729635 0.260659
C -6.568545 -1.588512 -2.331914
C -5.243880 -1.566321 1.663223
H 0.928714 -0.226713 1.893318
H 2.362967 1.672943 1.614500
H 0.493909 -0.287687 -1.162306
H -0.140057 -1.471782 0.001607
H -1.486512 0.274822 1.151980
H 2.754457 2.922519 -0.469368
H 1.724988 1.822148 -1.406011
H -0.441183 2.263070 -0.957849
H -1.540470 2.603236 0.418553
H -1.907513 0.541112 -1.788752
H 0.955102 4.285668 0.422172
H 1.444201 3.791925 2.079683
H -0.274881 4.122475 1.717208
H 1.972353 -2.734915 1.712833
H 5.250032 1.841906 -2.004099
H 6.425981 -0.398745 -1.680782
H 5.842983 -2.983919 -0.293123
H 4.042733 -3.988896 1.119953
H -5.073736 -0.058424 -2.701117
H -4.375220 -1.693748 -2.427479
H -5.026908 -2.649257 -0.215352
H -3.531852 -1.843293 0.302215
H -6.721082 -2.509837 -1.741696
H -7.346954 -0.862028 -2.045471
H -6.694748 -1.844257 -3.400126
H -4.861134 -0.656260 2.152537
H -6.342619 -1.486757 1.597160
H -4.989473 -2.442578 2.288747


