%chk=000004143.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004143

0 1
 S   -2.971600       1.824600     -0.4276000    
 O   -4.319100       2.035900      8.7899998E-02
 O   -2.713300       2.072700      -1.840800    
 O    3.620900     -0.3544000      -1.282300    
 O    5.119200      -1.753600      0.4791000    
 N   -1.880900       2.753500      0.5295000    
 N    4.781000     -0.4143000      0.7138000    
 C   -2.511000      0.1821000     -5.5300001E-02
 C   -1.156100      -1.780700     -0.5346000    
 C   -1.771100      -2.460400      0.5437000    
 C   -1.537200     -0.4597000     -0.8208000    
 C  -0.4748000       2.473000      0.4180000    
 C   -3.115800     -0.4863000       1.005000    
 C   -2.749300      -1.798800       1.303900    
 C    2.242400       1.929300      0.2024000    
 C  -0.1776000      -2.442000      -1.294600    
 C   0.1579000       2.609300     -0.8120000    
 C   0.2362000       2.067900       1.541200    
 C   -1.389900      -3.781500      0.8298000    
 C    1.521500       2.336300     -0.9202000    
 C    1.599800       1.795100       1.433100    
 C    3.701000       1.639400      8.7700002E-02
 C   0.1888000      -3.754700     -0.9963000    
 C  -0.4163000      -4.423200      6.3800000E-02
 C    4.015300      0.1906000     -0.2545000    
 H   -1.069000      5.5799998E-02  -1.656400    
 H   -2.200000       2.983100       1.479900    
 H   -3.870800     -3.8999999E-03   1.619500    
 H   -3.233900      -2.301300       2.138400    
 H   0.3099000      -1.938500      -2.127000    
 H  -0.3727000       2.952600      -1.693900    
 H  -0.2560000       1.957800       2.503600    
 H   -1.849400      -4.323200       1.654000    
 H    2.011500       2.449100      -1.883700    
 H    2.150200       1.476400       2.314400    
 H    4.208400       1.937600       1.014100    
 H    4.151900       2.261400     -0.6966000    
 H   0.9474000      -4.254500      -1.591600    
 H  -0.1304000      -5.445000      0.2957000    
 H    5.222200      3.7500001E-02   1.506400    
 H    4.411700      -2.199000      0.9754000    


%chk=000004143-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004143

0 1
S -3.031847 1.831631 -0.668620
O -4.553307 2.067697 -0.145989
O -2.567859 2.094474 -2.199518
O 3.340865 -0.008230 -1.775872
O 4.253537 -2.244301 -0.707159
N -1.921648 3.065020 0.434866
N 4.184034 -1.033907 0.069786
C -2.488813 0.091054 -0.170961
C -0.829923 -1.675952 -0.247499
C -1.626584 -2.426084 0.705365
C -1.300881 -0.399300 -0.697867
C -0.549831 2.694084 0.461382
C -3.296099 -0.609867 0.767281
C -2.863268 -1.871046 1.180857
C 2.180246 1.882180 0.376068
C 0.422642 -2.209675 -0.697972
C 0.217686 2.871822 -0.726238
C 0.074554 2.141488 1.615363
C -1.146688 -3.701297 1.150681
C 1.558938 2.451828 -0.767781
C 1.431401 1.762073 1.573043
C 3.610919 1.361193 0.294753
C 0.871466 -3.446130 -0.228251
C 0.076423 -4.199908 0.694214
C 3.691459 0.086164 -0.546188
H -0.731861 0.169204 -1.440516
H -2.393490 3.012966 1.358612
H -4.234389 -0.168079 1.117402
H -3.470143 -2.451323 1.885298
H 1.026308 -1.626395 -1.403545
H -0.263141 3.319430 -1.600848
H -0.507086 2.001254 2.535279
H -1.750024 -4.278580 1.861135
H 2.130403 2.550170 -1.696554
H 1.899846 1.338789 2.469984
H 4.020058 1.181419 1.305997
H 4.265206 2.104901 -0.197946
H 1.840874 -3.836244 -0.555329
H 0.437314 -5.172976 1.044985
H 4.472322 -1.178340 1.035291
H 3.951384 -1.895210 -1.610890


