%chk=000155794.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155794

0 1
 S  -0.2475000     -0.6832000     -0.8758000    
 O   -5.629600       1.347100     -0.8202000    
 O    7.152500      0.1925000     -0.1477000    
 N    2.424200     -0.5731000      -1.165100    
 N   -3.166900      -1.629600      0.7194000    
 N    1.727000      0.1160000      0.8296000    
 C   -3.462400      0.6105000     -0.1408000    
 C   -2.695100     -0.4152000      0.3743000    
 C   -1.219800     -0.2156000      0.5863000    
 C   -4.821000      0.3721000     -0.3160000    
 C    3.560100     -0.2241000     -0.4808000    
 C    3.098500      0.2026000      0.7611000    
 C   -5.353500     -0.8660000      2.5900001E-02
 C    1.356000     -0.3522000     -0.3410000    
 C   -2.866800       1.929900     -0.4998000    
 C    4.910600     -0.2445000     -0.8309000    
 C   -4.491900      -1.824500      0.5349000    
 C    4.025100      0.6384000       1.723400    
 C    5.819000      0.1926000      0.1387000    
 C   -6.801200      -1.171000     -0.1430000    
 C    5.386300      0.6265000       1.393800    
 C   -6.238600       2.231700      0.1175000    
 C    7.535100     -0.2609000      -1.444000    
 H  -0.9896000      0.8110000      0.8897000    
 H  -0.9015000     -0.8526000       1.421100    
 H    2.382800     -0.9300000      -2.110300    
 H   -1.971900       1.812600      -1.118000    
 H   -3.546400       2.554100      -1.088600    
 H   -2.610900       2.489600      0.4058000    
 H    5.180100     -0.5926000      -1.819400    
 H   -4.845900      -2.809900      0.8222000    
 H    3.698800      0.9774000       2.701400    
 H   -7.181500     -0.7730000      -1.089600    
 H   -6.981300      -2.251600     -0.1603000    
 H   -7.378600     -0.7446000      0.6830000    
 H    6.111600      0.9614000       2.131700    
 H   -6.823600       2.968900     -0.4392000    
 H   -5.480700       2.760400      0.7040000    
 H   -6.911900       1.686500      0.7856000    
 H    7.273300      -1.313400      -1.597100    
 H    8.626700     -0.1934000      -1.500400    
 H    7.135500      0.3862000      -2.232300    


%chk=000155794-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155794

0 1
S -0.354423 -2.091420 -0.583177
O -4.903012 1.642314 -0.663280
O 6.624487 1.186819 -0.399781
N 2.311592 -1.351095 -0.969023
N -3.715288 -2.214691 0.613058
N 1.249650 -0.104809 0.621461
C -3.127592 0.128199 0.140802
C -2.797353 -1.198304 0.555269
C -1.399102 -1.585316 0.960164
C -4.486075 0.368811 -0.201089
C 3.270117 -0.428953 -0.511672
C 2.588941 0.339368 0.488553
C -5.454111 -0.670535 -0.170639
C 1.127342 -1.108557 -0.256130
C -2.087132 1.223581 0.037946
C 4.616750 -0.211643 -0.870365
C -4.997466 -1.943234 0.248141
C 3.282464 1.369874 1.163965
C 5.282518 0.827827 -0.176090
C -6.891104 -0.430230 -0.576563
C 4.625420 1.605619 0.825135
C -5.065892 2.668587 0.383930
C 7.362426 0.439317 -1.416884
H -0.812086 -0.773187 1.418041
H -1.427465 -2.476859 1.601180
H 2.447263 -2.082435 -1.664546
H -1.110514 0.827807 -0.285131
H -2.413891 1.993835 -0.680707
H -1.914502 1.716211 1.014878
H 5.114508 -0.810805 -1.637424
H -5.699628 -2.784771 0.297464
H 2.780399 1.966575 1.931027
H -6.950596 -0.055726 -1.613911
H -7.479745 -1.360835 -0.502515
H -7.372492 0.333946 0.061419
H 5.204807 2.391364 1.318413
H -5.388139 3.579477 -0.142973
H -4.114949 2.861287 0.915265
H -5.838749 2.363571 1.116149
H 7.430142 -0.636257 -1.158494
H 8.369826 0.880721 -1.426044
H 6.897752 0.551553 -2.416724


