%chk=000146039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146039

0 1
 S    3.405000      9.1600001E-02  0.3387000    
 O   -1.899000     -0.9154000      -1.423900    
 O   0.4879000       1.551800       1.241200    
 O    5.888400      -1.554700     -0.4346000    
 N   -2.797400      -1.109900     -0.2519000    
 N   0.1645000      0.4120000     -0.7584000    
 C   -1.206400      3.1500001E-02 -0.5369000    
 C   -1.559800     -0.9747000      0.5931000    
 C   -3.454000      0.2421000     -0.2106000    
 C   -2.213200       1.143600     -0.3384000    
 C  -0.7655000      -2.271700      0.5573000    
 C   -1.728200     -0.5562000       2.027400    
 C   -4.367500      0.3860000      -1.451700    
 C   -4.332100      0.5140000       1.016700    
 C   0.9237000       1.156100      0.1612000    
 C    2.344800       1.422400     -0.2742000    
 C    4.982800      0.6776000     -0.3227000    
 C    6.125800     -0.2462000      6.7500003E-02
 H   -2.025900       1.769300      0.5374000    
 H   -2.257400       1.796000      -1.218000    
 H   -1.252400      -3.048200       1.159600    
 H  -0.6335000      -2.685700     -0.4491000    
 H   0.2413000      -2.122500      0.9654000    
 H  -0.8208000     -0.7871000       2.601900    
 H   -1.856600      0.5138000       2.189100    
 H   -2.539500      -1.104200       2.519700    
 H   0.6269000      0.1253000      -1.617600    
 H   -3.830000      0.2415000      -2.395600    
 H   -5.184900     -0.3439000      -1.422700    
 H   -4.811500       1.387600      -1.493900    
 H   -3.807700      0.7394000       1.941800    
 H   -4.972300       1.387400      0.8392000    
 H   -4.998900     -0.3348000       1.208300    
 H    2.400000       1.477400      -1.365700    
 H    2.661700       2.384400      0.1404000    
 H    4.897600      0.7120000      -1.413800    
 H    5.182800       1.687500      4.8300002E-02
 H    6.254400     -0.3019000       1.153900    
 H    7.064800      0.1144000     -0.3636000    
 H    5.047400      -1.863200     -5.6499999E-02


%chk=000146039-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146039

0 1
S 3.751850 0.605815 1.306229
O -0.323909 -0.625001 -0.790416
O 0.734720 3.008564 -0.098877
O 2.208868 0.016320 -1.646228
N -1.748658 -1.174861 -0.311818
N 0.724331 0.879213 0.914548
C -0.499887 0.343254 0.446351
C -1.189270 -0.872245 1.147387
C -2.551691 0.113894 -0.713075
C -1.650553 1.237680 -0.074762
C -0.242035 -2.024216 1.531666
C -2.170078 -0.619104 2.301194
C -2.569611 0.185642 -2.253874
C -4.011017 0.015132 -0.218671
C 1.333824 2.053510 0.467636
C 2.839759 2.168776 0.749756
C 4.254065 -0.187247 -0.348800
C 3.144070 -0.948371 -1.076189
H -2.142242 1.799405 0.737842
H -1.276931 1.963613 -0.809321
H -0.838930 -2.897252 1.849426
H 0.389950 -2.328184 0.684323
H 0.400807 -1.733345 2.384736
H -1.619900 -0.688930 3.257219
H -2.651854 0.369323 2.267553
H -2.955426 -1.396033 2.317216
H 1.389167 0.204824 1.325425
H -1.546983 0.194457 -2.660568
H -3.111395 -0.680962 -2.674100
H -3.084677 1.109175 -2.576138
H -4.126654 0.074548 0.872487
H -4.595582 0.841281 -0.662523
H -4.456492 -0.935572 -0.563924
H 3.313316 2.542067 -0.171459
H 3.004129 2.913112 1.548590
H 4.651125 0.615919 -0.992776
H 5.081883 -0.865315 -0.074923
H 2.642694 -1.651996 -0.379019
H 3.611716 -1.547777 -1.889095
H 1.272801 -0.334715 -1.614728


