%chk=000174749.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174749

0 1
 S   -1.965800      -1.774700      -1.070700    
 S   0.9863000      -2.299900     -0.6177000    
 O   -4.986400     -0.7733000       1.346700    
 O    5.456100      0.3120000     -4.3900002E-02
 O   -4.799400      -2.108800     -0.4634000    
 N  -3.0999999E-02  5.9799999E-02 -0.8391000    
 C   -2.780900     -0.9893000      0.3438000    
 C   -2.612500      0.5318000      0.2251000    
 C   -2.158300      -1.608100       1.610100    
 C   -4.267500      -1.376500      0.3645000    
 C   -3.134100       1.163600     -0.8775000    
 C   -1.946900       1.196200       1.226300    
 C  -0.3211000      -1.220500     -0.8430000    
 C    2.061900     -0.9574000     -0.5009000    
 C    1.332400      0.2267000     -0.6446000    
 C   -2.980500       2.545800     -0.9857000    
 C   -1.793500       2.578400       1.118200    
 C    3.451200     -0.9523000     -0.2972000    
 C    2.020400       1.458100     -0.5821000    
 C    4.107700      0.2798000     -0.2393000    
 C   -2.310200       3.253100      1.2200000E-02
 C    3.403500       1.470500     -0.3798000    
 C    6.025900     -0.7521000      0.7153000    
 C    7.242700     -0.2628000       1.422800    
 H   -2.302200      -2.697000       1.631900    
 H   -1.086000      -1.418100       1.726400    
 H   -2.647400      -1.233000       2.518900    
 H   -3.669200      0.6325000      -1.658400    
 H   -1.529500      0.7217000       2.105300    
 H   -3.385000       3.071600      -1.845600    
 H   -1.271300       3.129900       1.894600    
 H    3.976200      -1.898800     -0.2205000    
 H    1.479400       2.394100     -0.6899000    
 H   -2.190800       4.329300     -7.1800001E-02
 H    3.925400       2.422900     -0.3328000    
 H   -5.935800      -1.016600       1.306800    
 H    5.329200      -1.125300       1.476800    
 H    6.292700      -1.570500      3.7200000E-02
 H    7.710000      -1.060900       2.007000    
 H    7.979700      0.1235000      0.7105000    
 H    6.996600      0.5642000       2.097500    


%chk=000174749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174749

0 1
S -2.001193 -2.261883 0.057384
S 0.912715 -1.818065 -0.981992
O -5.481456 -0.308664 0.787545
O 5.534775 0.261881 0.817051
O -4.842661 -2.170113 -0.436293
N 0.081446 -0.973091 1.440777
C -3.114058 -0.755946 0.695597
C -2.704344 0.518037 -0.046281
C -3.039728 -0.691344 2.234767
C -4.527429 -1.186145 0.265523
C -2.967512 0.633927 -1.438181
C -2.051684 1.584535 0.617903
C -0.359643 -1.589435 0.366827
C 2.089745 -1.000555 0.123404
C 1.438131 -0.613239 1.338678
C -2.600943 1.796654 -2.144357
C -1.680464 2.749129 -0.091791
C 3.455432 -0.745837 -0.110071
C 2.186077 0.057817 2.339027
C 4.177110 -0.070835 0.905919
C -1.955160 2.862021 -1.472226
C 3.543589 0.326524 2.120560
C 6.265574 -0.126510 -0.406952
C 7.704398 0.350426 -0.232538
H -3.393798 -1.639954 2.672232
H -1.996575 -0.540186 2.554390
H -3.678167 0.128726 2.607215
H -3.444525 -0.197993 -1.970583
H -1.826421 1.512222 1.685276
H -2.811769 1.871557 -3.216890
H -1.172693 3.564516 0.435261
H 3.932277 -1.053199 -1.043436
H 1.693988 0.350059 3.271100
H -1.666704 3.765736 -2.020540
H 4.149800 0.841083 2.871473
H -6.386576 -0.594057 0.486475
H 6.217018 -1.228335 -0.528570
H 5.786066 0.349984 -1.286878
H 8.302423 0.083921 -1.122817
H 7.739040 1.445428 -0.102621
H 8.165895 -0.119196 0.652633


