%chk=000122962.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122962

0 1
 S    2.535700     -0.1664000      -1.947500    
 O    2.010000     -0.4750000      -3.264300    
 O    3.969800     -0.1020000      -1.741300    
 O   -2.340800       1.472300      -2.611400    
 N    1.790800       1.275100      -1.373000    
 N   -1.455700      0.6661000       1.209900    
 N  -0.8122000       1.532100     -0.9065000    
 C   0.8065000       1.606100      0.8561000    
 C    1.914200       1.607300      1.3100000E-02
 C  -0.5557000       1.254100      0.3435000    
 C    1.884300      -1.381600     -0.8378000    
 C   -2.733400      0.3276000      0.7565000    
 C   -3.072500      0.5903000     -0.5755000    
 C   0.9453000       1.933300       2.202200    
 C    3.170800       1.938600      0.5201000    
 C   0.7052000      -2.027000      -1.163500    
 C    2.567200      -1.661000      0.3321000    
 C   -2.050000       1.231600      -1.443800    
 C    2.202000       2.264400       2.709100    
 C    3.314600       2.267000       1.868100    
 C   0.8649000      -3.280400      0.8957000    
 C   -3.674200     -0.2767000       1.595000    
 C   0.1912000      -2.984600     -0.2891000    
 C    2.053000      -2.618600       1.206300    
 C   -4.337800      0.2601000      -1.068800    
 C   -4.939000     -0.6082000       1.106300    
 C   -5.269600     -0.3399000     -0.2221000    
 C   0.3158000      -4.304600       1.830500    
 H   0.9085000       1.544400      -1.823800    
 H   -1.219700      0.4269000       2.165600    
 H   9.7199999E-02   1.962700       2.880100    
 H    4.047100       1.966300     -0.1211000    
 H   0.1605000      -1.803600      -2.075400    
 H    3.494300      -1.160100      0.5915000    
 H    2.313400       2.526000       3.757300    
 H    4.292000       2.530200       2.261700    
 H   -3.430400     -0.4933000       2.632000    
 H  -0.7362000      -3.492000     -0.5412000    
 H    2.588200      -2.841700       2.125500    
 H   -4.613700      0.4601000      -2.100100    
 H   -5.667300      -1.077000       1.761800    
 H   -6.255000     -0.6000000     -0.5981000    
 H  -0.7786000      -4.327400       1.791300    
 H   0.6976000      -5.296100       1.567900    
 H   0.5943000      -4.084500       2.866600    


%chk=000122962-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122962

0 1
S 2.975122 -0.340036 -0.723162
O 2.862291 0.142102 -2.269940
O 4.389890 -0.127916 0.063406
O -1.964766 -1.459479 -0.748430
N 1.592127 0.395984 0.231189
N -2.145974 2.174499 1.126894
N -0.899827 0.344145 0.273102
C 0.325194 2.234826 1.206782
C 1.603398 1.648132 0.822516
C -0.929658 1.557231 0.864964
C 2.471697 -2.149876 -0.549859
C -3.375754 1.564552 0.825175
C -3.362287 0.286665 0.193936
C 0.334042 3.487771 1.894265
C 2.807422 2.372997 1.099870
C 1.259242 -2.586168 -1.109409
C 3.362426 -2.991238 0.131695
C -2.058955 -0.353135 -0.135788
C 1.521415 4.175832 2.165202
C 2.760169 3.610260 1.750063
C 1.799951 -4.852822 -0.292758
C -4.604528 2.204263 1.130370
C 0.929859 -3.950049 -0.962343
C 3.014005 -4.355822 0.248717
C -4.590956 -0.342683 -0.122138
C -5.813007 1.560839 0.807807
C -5.812087 0.284955 0.181480
C 1.433272 -6.320362 -0.167789
H 0.561828 0.023669 0.072830
H -2.153132 3.109789 1.534003
H -0.603239 3.940023 2.244459
H 3.765088 1.928518 0.813786
H 0.568783 -1.908852 -1.621494
H 4.289951 -2.588435 0.551312
H 1.498273 5.132748 2.695021
H 3.696062 4.141882 1.954360
H -4.611011 3.188420 1.613617
H -0.023055 -4.307083 -1.368048
H 3.692943 -5.038293 0.772300
H -4.548470 -1.321720 -0.610220
H -6.763306 2.051877 1.043041
H -6.760445 -0.202674 -0.064663
H 0.401747 -6.444898 0.208755
H 1.482949 -6.826176 -1.150825
H 2.113912 -6.853362 0.517450


