%chk=000178431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178431

0 1
 S   -1.601700      -2.530000      0.3292000    
 O   -1.015300       1.857500      0.1115000    
 O    1.556900       1.550400       1.959500    
 N   -2.412100      7.4000001E-02  7.7699997E-02
 N    1.195800      0.3747000     -5.9000002E-03
 N   -4.053800      -1.464600      8.3800003E-02
 C   9.9999998E-03 -0.3281000      0.4363000    
 C  -0.1180000      -1.672800     -0.2901000    
 C   -1.129100      0.6402000      0.1649000    
 C   -2.760700      -1.260200      0.1544000    
 C    1.095100      -2.577300     -0.1556000    
 C   -3.613900      0.7613000     -9.6199997E-02
 C   -4.602000     -0.2235000     -7.9200000E-02
 C    1.413100      -3.468900      -1.178000    
 C    1.886300      -2.512200      0.9895000    
 C   -3.935700       2.118000     -0.2578000    
 C    1.874500       1.265500      0.8078000    
 C   -5.954200      0.1354000     -0.2231000    
 C   -5.285600       2.458400     -0.4013000    
 C    2.527100      -4.299300      -1.054700    
 C    3.000300      -3.342600       1.112700    
 C   -6.280700       1.484400     -0.3836000    
 C    3.057300       1.925000      0.1969000    
 C    3.320600      -4.236100      9.0499997E-02
 C    3.440500       3.166700      0.6599000    
 C    3.735000       1.274600     -0.8133000    
 C    4.551100       3.786000      8.6800002E-02
 C    4.845700       1.893900      -1.386300    
 C    5.253700       3.149600     -0.9363000    
 H   5.2700002E-02 -0.4466000       1.526800    
 H  -0.2754000      -1.476200      -1.360000    
 H    1.439100      0.2895000     -0.9874000    
 H   0.8031000      -3.528200      -2.075300    
 H    1.660700      -1.850100       1.818400    
 H   -3.180400       2.895000     -0.2749000    
 H   -6.734200     -0.6195000     -0.2118000    
 H   -5.560700       3.502500     -0.5280000    
 H    2.776400      -4.995300      -1.850300    
 H    3.615500      -3.297600       2.006600    
 H   -7.321700       1.774900     -0.4966000    
 H    4.187200      -4.883600      0.1871000    
 H    2.901300       3.677800       1.451900    
 H    3.471200      0.2833000      -1.167200    
 H    4.868400       4.764000      0.4365000    
 H    5.398200       1.395400      -2.177500    
 H    6.119500       3.631100      -1.381400    


%chk=000178431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178431

0 1
S -1.567078 -2.415905 0.839230
O -1.163338 1.811956 -0.819861
O 2.045249 0.653491 1.914271
N -2.542812 0.106922 -0.045795
N 1.152916 0.558825 -0.234092
N -4.145091 -1.431550 0.586991
C -0.053619 -0.117035 0.229406
C -0.152739 -1.609180 -0.217318
C -1.279309 0.688973 -0.260359
C -2.844553 -1.211497 0.457919
C 1.085642 -2.458240 -0.034311
C -3.811018 0.737668 -0.254785
C -4.779751 -0.227057 0.166467
C 1.467138 -3.343944 -1.074771
C 1.847567 -2.428840 1.162641
C -4.170142 2.007411 -0.739339
C 2.135501 0.946051 0.679050
C -6.154324 0.073112 0.113107
C -5.555801 2.294963 -0.785955
C 2.594040 -4.182080 -0.929980
C 2.972972 -3.267863 1.306583
C -6.529793 1.347912 -0.368904
C 3.290700 1.725346 0.120585
C 3.350187 -4.146330 0.264025
C 4.050533 2.513616 1.022522
C 3.659210 1.681408 -1.249811
C 5.147007 3.267810 0.557651
C 4.760813 2.433320 -1.712366
C 5.502428 3.233130 -0.812006
H -0.025412 -0.085973 1.340324
H -0.501716 -1.674509 -1.263579
H 1.089033 1.058280 -1.124979
H 0.877073 -3.379912 -1.999061
H 1.581674 -1.739372 1.970611
H -3.417864 2.729242 -1.061326
H -6.893798 -0.664867 0.436203
H -5.882409 3.273188 -1.154716
H 2.878435 -4.860208 -1.741938
H 3.557931 -3.231147 2.231771
H -7.591264 1.612212 -0.422971
H 4.224728 -4.795889 0.381009
H 3.763655 2.515039 2.079088
H 3.121190 1.032404 -1.950514
H 5.724748 3.880095 1.258362
H 5.046496 2.388214 -2.768843
H 6.356065 3.817211 -1.173331


