%chk=000052939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052939

0 1
 S   -2.399900      -1.968500     -0.3845000    
 O    2.938400      0.1665000      0.9455000    
 O   -2.141000       1.593000     -0.3180000    
 O   -2.309200      -3.419700     -0.3395000    
 O   -3.403500      -1.277700      0.4104000    
 O   -2.489200      0.8611000       1.836500    
 N   -2.548000      -1.472400      -2.011700    
 C    5.100100      0.7599000      0.1041000    
 C  -0.8287000      -1.309500      1.8500000E-02
 C  -0.6929000     -2.3800001E-02  0.5420000    
 C    4.024900     -0.3157000      0.1669000    
 C    6.295200      0.3136000     -0.7334000    
 C    1.694200     -0.3207000      0.6396000    
 C   0.5729000      0.4724000      0.8537000    
 C   0.3016000      -2.099000     -0.1934000    
 C    1.567500      -1.602900      0.1183000    
 C   -3.261500       2.477600     -0.2087000    
 C   -1.850100      0.8294000      0.7782000    
 C    7.347500       1.406600     -0.8294000    
 C   -4.509500       1.668100      0.1087000    
 C   -3.408500       3.261600      -1.503800    
 H    5.422300       1.013800       1.121700    
 H    4.668200       1.679200     -0.3114000    
 H    3.717100     -0.5411000     -0.8626000    
 H    4.427500      -1.222000      0.6338000    
 H    6.745000     -0.5832000     -0.2919000    
 H    5.964600      4.6799999E-02  -1.744000    
 H   0.6876000       1.473500       1.262100    
 H   0.2232000      -3.102800     -0.6015000    
 H    2.418300      -2.259300     -3.6300000E-02
 H   -3.066000       3.191800      0.6008000    
 H    6.937300       2.306200      -1.299200    
 H    7.723100       1.677400      0.1626000    
 H    8.194900       1.065100      -1.432000    
 H   -4.613800      0.8213000     -0.5773000    
 H   -4.552400       1.282100       1.128200    
 H   -5.401600       2.295100     -5.2999998E-03
 H   -3.574100       2.586800      -2.350900    
 H   -2.489000       3.816400      -1.719500    
 H   -4.240300       3.970400      -1.450800    
 H   -2.482200      -2.194700      -2.739200    
 H   -3.223700     -0.7282000      -2.224100    


%chk=000052939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052939

0 1
S -2.416000 -1.695109 -0.674122
O 3.143831 0.699777 -0.023390
O -2.786573 1.307949 -0.573821
O -2.101273 -3.262664 -0.985144
O -3.377376 -1.344828 0.591323
O -1.423497 2.583042 0.818377
N -3.004251 -1.048167 -2.266898
C 5.563140 0.714379 0.089351
C -0.731696 -0.818395 -0.528436
C -0.539775 0.537596 -0.154245
C 4.341119 -0.150813 -0.218765
C 6.884746 -0.067840 -0.096703
C 1.890973 0.125490 -0.215789
C 0.789677 0.987014 0.007149
C 0.347064 -1.686259 -0.749276
C 1.669600 -1.220502 -0.603744
C -3.974670 2.195546 -0.230738
C -1.601750 1.568260 0.103749
C 8.124761 0.793195 0.225014
C -4.531471 1.768619 1.133625
C -4.960454 2.019588 -1.387585
H 5.488227 1.086851 1.128646
H 5.553187 1.601384 -0.572447
H 4.362585 -0.516510 -1.266427
H 4.285448 -1.022820 0.465442
H 6.880383 -0.965213 0.555305
H 6.953021 -0.438262 -1.139893
H 0.966286 2.021422 0.315407
H 0.139156 -2.727229 -1.020427
H 2.500326 -1.907308 -0.784033
H -3.581856 3.228179 -0.191023
H 8.173799 1.680396 -0.433474
H 8.097790 1.152004 1.270754
H 9.058506 0.218454 0.088446
H -4.748265 0.687091 1.134530
H -3.811768 1.984887 1.939840
H -5.462145 2.327403 1.342944
H -5.366086 0.991970 -1.409056
H -4.486304 2.249047 -2.358466
H -5.809687 2.712621 -1.252279
H -3.694441 -1.702488 -2.665865
H -3.317986 -0.073256 -2.144655


