%chk=000104334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104334

0 1
 S    5.246600      0.2483000     -1.7700000E-02
 O    5.374000      0.7937000      -1.359200    
 O    5.280100       1.125100       1.141400    
 N    8.818000      0.3105000      0.1078000    
 C   -1.374300     -0.6242000     -9.1799997E-02
 C   -2.613700      0.2745000     -0.1070000    
 C  -8.9299999E-02  0.2075000     -0.1158000    
 C   -3.931100     -0.5049000     -5.6600001E-02
 C    1.184600     -0.6361000     -1.0600000E-02
 C   -5.170600      0.3918000     -9.7400002E-02
 C    2.507600      0.1320000     -0.1100000    
 C   -6.454400     -0.4318000      2.8999999E-02
 C    3.767000     -0.7078000      5.3599998E-02
 C   -7.693300      0.4653000      2.7000001E-02
 C   -8.976900     -0.3592000      0.1194000    
 C    6.531700     -0.9637000      0.1914000    
 C   -10.20950      0.5303000      0.1517000    
 C    7.803400     -0.2515000      0.1447000    
 H   -1.394100      -1.298500     -0.9561000    
 H   -1.389100      -1.250100      0.8085000    
 H   -2.574200      0.9617000      0.7473000    
 H   -2.598600      0.8940000      -1.012400    
 H  -0.1030000      0.9279000      0.7115000    
 H  -5.6200001E-02  0.7920000      -1.043400    
 H   -3.950000      -1.108800      0.8592000    
 H   -3.966300      -1.206800     -0.8990000    
 H    1.166000      -1.179200      0.9428000    
 H    1.169200      -1.398400     -0.7998000    
 H   -5.120300       1.120300      0.7208000    
 H   -5.183000      0.9589000      -1.035800    
 H    2.505400      0.9232000      0.6505000    
 H    2.541800      0.6476000      -1.078100    
 H   -6.514200      -1.145600     -0.8017000    
 H   -6.428100      -1.016400      0.9567000    
 H    3.824600      -1.461000     -0.7387000    
 H    3.757600      -1.219300       1.021400    
 H   -7.710500       1.068300     -0.8892000    
 H   -7.641600       1.163000      0.8718000    
 H   -9.045100      -1.039400     -0.7375000    
 H   -8.957900     -0.9780000       1.024200    
 H    6.379500      -1.457600       1.154200    
 H    6.446100      -1.692700     -0.6181000    
 H   -10.27570       1.141600     -0.7540000    
 H   -10.18780       1.199700       1.017600    
 H   -11.11570     -7.9899997E-02  0.2168000    


%chk=000104334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104334

0 1
S 5.343489 0.351113 -0.106313
O 5.386101 0.934380 -1.628605
O 5.434992 1.332473 1.192752
N 9.181205 0.117982 -0.146105
C -1.371051 -0.586787 0.053448
C -2.635014 0.301112 -0.003400
C -0.056521 0.223336 -0.009246
C -3.950719 -0.508790 0.041104
C 1.203352 -0.670362 0.062222
C -5.216660 0.376710 -0.003463
C 2.510392 0.160532 -0.027554
C -6.531778 -0.434976 0.031107
C 3.735938 -0.745500 0.072361
C -7.799127 0.448923 -0.011292
C -9.114209 -0.363341 0.027711
C 6.817914 -1.036629 0.065164
C -10.374908 0.527708 -0.016980
C 8.112766 -0.407493 -0.050622
H -1.396210 -1.312152 -0.786465
H -1.389120 -1.188615 0.986161
H -2.617555 1.018592 0.843394
H -2.612659 0.912761 -0.929479
H -0.034836 0.955199 0.824117
H -0.034094 0.815835 -0.946869
H -3.969543 -1.127608 0.962879
H -3.971987 -1.220269 -0.811020
H 1.189172 -1.247651 1.009689
H 1.174700 -1.411103 -0.763234
H -5.200149 1.083404 0.852537
H -5.195767 1.000813 -0.921359
H 2.533678 0.908840 0.787454
H 2.532828 0.712322 -0.986941
H -6.549166 -1.140763 -0.825802
H -6.552279 -1.060127 0.948530
H 3.819765 -1.469954 -0.755217
H 3.852521 -1.228192 1.057283
H -7.782234 1.072202 -0.929955
H -7.782203 1.156706 0.843935
H -9.129755 -1.071696 -0.825805
H -9.130631 -0.984378 0.946780
H 6.639558 -1.475203 1.059218
H 6.604546 -1.737529 -0.756663
H -10.398550 1.134267 -0.942169
H -10.396605 1.226007 0.841095
H -11.300888 -0.075797 0.015018


