%chk=000100453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100453

0 1
 S   -3.058200       1.736200      -1.504900    
 S   -1.676100      -2.478300       1.454000    
 O   -1.283800       2.951900       2.299500    
 O   -2.987200       2.471400       1.000700    
 O    1.603900     -0.1687000       3.188100    
 O  -0.4386000     -0.9733000       3.193800    
 O    3.613100       2.175000      -1.381700    
 O    3.199100       2.753800      0.6951000    
 O    3.989700      -2.302400      -2.093000    
 O    4.618200      -1.064000     -0.3928000    
 N   -1.756100       2.600600       1.193600    
 N   -2.497200     -0.4786000     -0.1130000    
 N   0.6870000     -0.8399000       2.660500    
 N    2.810000       2.397900     -0.4436000    
 N    3.756000      -1.753700     -0.9889000    
 N   -3.596600      -2.604100     -0.3972000    
 C   -1.316600       1.944800      -1.141200    
 C  -4.4700000E-02  -2.236500      0.7659000    
 C  -0.8613000       2.339200      0.1169000    
 C   0.9333000      -1.473800       1.409100    
 C    1.418200       2.242900     -0.6778000    
 C   0.5061000       2.488400      0.3486000    
 C  -0.4044000       1.699400      -2.167500    
 C    2.476200      -1.918100     -0.3962000    
 C    2.191800      -1.314800      0.8290000    
 C   0.2437000      -2.839100     -0.4609000    
 C   0.9630000       1.848400      -1.935900    
 C    1.502200      -2.680200      -1.041100    
 C   -3.289800      1.6899999E-02  -1.084500    
 C   -2.701000      -1.778000      0.1763000    
 C   -4.244800     -0.7220000      -1.750100    
 C   -4.355200      -2.041100      -1.360500    
 H   0.8690000       2.794100       1.327000    
 H  -0.7370000       1.390000      -3.155600    
 H    2.955800     -0.7203000       1.324600    
 H  -0.4945000      -3.443600     -0.9828000    
 H    1.644600       1.647300      -2.758400    
 H    1.688400      -3.164900      -1.996100    
 H   -4.875900     -0.3135000      -2.529400    
 H   -5.078300      -2.702000      -1.826300    


%chk=000100453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100453

0 1
S -2.701932 1.228406 -2.401979
S -1.645630 -2.619910 1.439474
O -1.940546 3.777084 1.246276
O -3.210091 2.089573 0.385979
O 2.009987 -1.504165 3.681400
O 0.101634 -2.752797 3.525762
O 3.819689 2.225831 -0.714035
O 2.847826 3.349093 1.022115
O 3.834912 -1.117606 -2.320379
O 4.855887 -1.263809 -0.280279
N -2.114502 2.759133 0.474193
N -2.333811 -0.762698 -0.534417
N 1.085475 -2.093639 3.004673
N 2.794940 2.661290 -0.064821
N 3.824038 -1.336542 -1.044954
N -4.027118 -2.324388 0.230835
C -1.099188 1.660732 -1.607014
C 0.000642 -2.274446 0.718866
C -0.956229 2.341522 -0.366200
C 1.149716 -2.030477 1.526475
C 1.447129 2.335987 -0.614440
C 0.313389 2.691082 0.133939
C 0.069273 1.369010 -2.350480
C 2.520775 -1.685544 -0.430328
C 2.407499 -1.723045 0.966480
C 0.182635 -2.277657 -0.690405
C 1.351319 1.688156 -1.862819
C 1.423765 -1.986291 -1.270172
C -3.245340 -0.164453 -1.336592
C -2.767336 -1.816509 0.202961
C -4.593148 -0.593183 -1.395967
C -4.933986 -1.690151 -0.574958
H 0.410283 3.228242 1.081188
H -0.036711 0.864626 -3.314785
H 3.263401 -1.515780 1.614625
H -0.663852 -2.513491 -1.337809
H 2.258605 1.433062 -2.417972
H 1.562893 -1.994112 -2.354073
H -5.338167 -0.094904 -2.019377
H -5.956125 -2.079933 -0.547685


