%chk=000158920.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158920

0 1
 S    4.840800     -0.1442000       3.289200    
 S   -2.152700       2.853800     -0.3124000    
 S   -3.827200      -2.030700      0.8225000    
 O    2.869800      -1.536100      -1.438500    
 O    5.134300      -1.153200      -1.520000    
 O    2.280100       3.059200     -0.9212000    
 N    2.268100      0.7760000     -0.5147000    
 N  -0.4481000      0.9150000     -0.1783000    
 N   -4.072400      0.5047000      0.3821000    
 N   -8.418800     -0.9386000     -0.2185000    
 C    3.689800      0.5739000     -0.6416000    
 C    4.399800      0.7228000      0.7105000    
 C    3.978700     -0.3599000       1.704600    
 C    3.994500     -0.7913000      -1.245400    
 C    1.674600       2.021100     -0.6678000    
 C   0.2017000       2.067300     -0.4799000    
 C   -6.206500     -0.6390000      0.8819000    
 C   -1.723700       1.211000     -6.3299999E-02
 C   -2.736900      0.1837000      0.2634000    
 C   -4.743200     -0.5870000      0.6757000    
 C    3.072200      -2.834300      -2.006800    
 C  -0.5013000       3.215900     -0.6003000    
 C   -6.974600     -0.9184000     -0.4247000    
 C   -2.407400      -1.137200      0.4659000    
 C    4.076300      -1.511400       4.190700    
 C    1.732000      -3.523000      -2.153200    
 H    4.076000       1.323400      -1.342700    
 H    5.484700      0.6706000      0.5503000    
 H    4.181700       1.715800       1.124400    
 H    4.220000      -1.356800       1.323800    
 H    2.901100     -0.3103000       1.890200    
 H    1.683400     -2.4300000E-02 -0.2894000    
 H   -6.536000      0.3241000       1.293500    
 H   -6.467500      -1.394300       1.634600    
 H    3.545600      -2.732900      -2.989700    
 H    3.720900      -3.423200      -1.348900    
 H  -0.1743000       4.219900     -0.8313000    
 H   -6.734800     -0.1534000      -1.172200    
 H   -6.666300      -1.881200     -0.8477000    
 H   -1.440300      -1.619200      0.4263000    
 H    2.994900      -1.366800       4.258000    
 H    4.485100      -1.548000       5.203900    
 H    4.290800      -2.462100       3.695600    
 H    1.849700      -4.520800      -2.584900    
 H    1.237600      -3.614100      -1.180300    
 H    1.065500      -2.936300      -2.794000    
 H   -8.652400      -1.644800      0.4787000    
 H   -8.717900     -4.7800001E-02  0.1771000    


%chk=000158920-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158920

0 1
S 5.346913 0.138470 3.093110
S -2.297200 2.734142 0.318038
S -4.084587 -2.376248 0.398304
O 2.829420 -1.643742 -1.354417
O 5.022789 -1.102351 -1.928894
O 2.339254 3.087521 -0.443274
N 2.214086 0.752190 -0.491157
N -0.508931 0.782750 -0.048838
N -4.156885 0.289518 0.516832
N -8.636922 -0.550641 -0.582705
C 3.639977 0.574185 -0.774894
C 4.546071 0.761754 0.487477
C 4.249554 -0.255089 1.600095
C 3.925776 -0.780586 -1.423680
C 1.665766 2.010222 -0.360056
C 0.190015 1.998450 -0.114728
C -6.454990 -0.697642 0.750569
C -1.805330 0.961895 0.167691
C -2.817187 -0.076319 0.284697
C -4.966215 -0.748384 0.613507
C 3.014541 -3.003249 -1.954984
C -0.579889 3.140472 0.055606
C -7.182096 -0.645590 -0.651967
C -2.578160 -1.444668 0.189606
C 4.720155 -1.199372 4.258732
C 1.693039 -3.744608 -1.785355
H 3.951286 1.357128 -1.494465
H 5.599730 0.679949 0.163383
H 4.379009 1.790804 0.852289
H 4.473425 -1.288315 1.277278
H 3.195607 -0.192704 1.923444
H 1.594055 -0.063446 -0.457044
H -6.719191 0.213843 1.317032
H -6.830457 -1.571698 1.313383
H 3.297574 -2.872533 -3.014644
H 3.852914 -3.497460 -1.432025
H -0.227672 4.169284 0.038480
H -6.788743 0.223298 -1.209483
H -6.906773 -1.549038 -1.227423
H -1.624476 -1.938279 0.019812
H 3.643626 -1.065979 4.454090
H 5.280790 -1.085405 5.199680
H 4.911344 -2.199513 3.836604
H 1.777370 -4.758390 -2.217141
H 1.429915 -3.844617 -0.718156
H 0.874937 -3.214933 -2.302905
H -9.129603 -1.371571 -0.225865
H -9.016231 0.334093 -0.240440


