%chk=000173432.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173432

0 1
 S   0.6699000      0.7563000      0.9027000    
 O   0.1901000     -0.2647000     -0.2800000    
 O   0.9999000     -1.2600000E-02   2.090400    
 O  -0.2762000       1.859100      0.9535000    
 O   -2.153000      0.7839000      -1.280100    
 O    6.817500      0.9954000     -0.8081000    
 O   0.2009000      -2.794000      0.8448000    
 O   -4.896400     -0.8723000      -2.364900    
 N    6.861800      -1.647000     -8.1400000E-02
 N    7.752400      -2.264100     -0.1478000    
 C    3.362900      0.6469000      0.2162000    
 C    2.190600       1.413600      0.3162000    
 C    4.546200       1.252000     -0.2703000    
 C    2.184900       2.757600     -5.8100000E-02
 C    3.386900     -0.7072000      0.5880000    
 C    4.522200       2.606000     -0.6423000    
 C    5.718600      0.4854000     -0.3703000    
 C    3.348500       3.352700     -0.5365000    
 C  -0.9707000     -0.9969000     -0.2197000    
 C    4.560600      -1.453800      0.4819000    
 C    5.724300     -0.8587000      3.7000000E-03
 C   -3.327400      -1.207600     -0.6630000    
 C   -2.149700     -0.4626000     -0.7257000    
 C  -0.9520000      -2.265500      0.3478000    
 C   -3.317400      -2.481500     -9.4899997E-02
 C   -2.129700      -3.010400      0.4104000    
 C   -4.578700     -0.6743000      -1.183800    
 C   -5.521100      0.1193000     -0.3407000    
 C   -5.191100      0.3533000      0.9744000    
 C   -6.682600      0.5859000     -0.9120000    
 C   -6.071600       1.095100       1.761800    
 C   -7.562900       1.328000     -0.1246000    
 C   -7.257400       1.582700       1.212300    
 H    1.294700       3.376100      2.9000000E-03
 H    2.517600      -1.255900      0.9252000    
 H    5.401400       3.121500      -1.022400    
 H    3.343200       4.398900     -0.8287000    
 H    4.553700      -2.503100      0.7661000    
 H   -4.228500      -3.071700     -4.0300000E-02
 H   -2.136100      -4.004100      0.8503000    
 H   -4.279000     -7.7999998E-03   1.436700    
 H   -6.941800      0.4007000      -1.949600    
 H   -1.246200       1.135200      -1.258200    
 H   1.6600000E-02  -3.681300       1.197800    
 H   -5.834100       1.293800       2.802900    
 H   -8.486300       1.707700     -0.5522000    
 H   -7.942800       2.160500       1.825500    


%chk=000173432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173432

0 1
S 0.515937 -0.218829 -1.580532
O -1.005479 -2.199970 -3.070982
O -0.363881 -0.915858 -0.325183
O -0.547109 1.016362 -2.403076
O -2.824193 -0.309340 -2.131328
O 5.315440 2.147288 2.249073
O -0.574602 -4.584417 -1.763904
O -5.773919 -1.432721 0.502040
N 5.725896 -0.536944 2.746705
N 6.639624 -0.642642 3.478592
C 2.613678 0.613819 0.183412
C 1.587074 1.075897 -0.694175
C 3.443022 1.627030 0.783647
C 1.360141 2.428669 -0.970295
C 2.842272 -0.790303 0.487654
C 3.218182 3.002002 0.510650
C 4.560305 1.280249 1.702995
C 2.185772 3.403631 -0.351582
C -1.670712 -2.447615 -2.027205
C 3.863787 -1.179349 1.324676
C 4.723725 -0.189086 1.928992
C -3.585746 -1.809335 -0.391837
C -2.721892 -1.418508 -1.505650
C -1.581802 -3.756043 -1.306569
C -3.472576 -3.097454 0.116265
C -2.487121 -4.063126 -0.308608
C -4.654722 -0.914228 0.188024
C -4.373008 0.528504 0.453472
C -3.049231 1.023008 0.607465
C -5.476645 1.406870 0.630374
C -2.840019 2.379186 0.934790
C -5.262288 2.763521 0.939372
C -3.941390 3.252653 1.093956
H 0.550913 2.709888 -1.650383
H 2.177238 -1.552283 0.073023
H 3.876446 3.730537 0.994113
H 2.015383 4.464465 -0.558653
H 4.032748 -2.236103 1.552960
H -4.172522 -3.387290 0.908879
H -2.457649 -5.037226 0.195511
H -2.186585 0.356439 0.492069
H -6.488135 1.001279 0.522669
H -1.434237 0.525520 -2.592540
H -0.562118 -5.449055 -1.277934
H -1.818483 2.753989 1.063601
H -6.115349 3.439680 1.062293
H -3.773470 4.307737 1.339062


