%chk=000130458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130458

0 1
 S    5.599000      -1.320000     -0.4072000    
 O   -4.078300      -3.140900      0.7972000    
 O   -1.886100      -2.542600      0.9758000    
 O  -0.9376000       2.957700      -1.224000    
 O   -3.247500       1.656500      -1.052700    
 O    6.208500     -0.8900000      -1.657600    
 O    6.425300      -1.482300      0.7812000    
 N   -2.281600     -0.2220000     -9.0899996E-02
 N   -1.268200       2.575800       1.619100    
 C   -3.489000      -1.000200      2.5000000E-02
 C   -4.144000      -1.227400      -1.345900    
 C   -4.545800     -0.3077000      0.8991000    
 C   -5.626400     -0.9468000      -1.128700    
 C   -5.626600      0.1456000     -7.5000003E-02
 C   -3.035400      -2.288100      0.6477000    
 C   -2.262700       1.056500     -0.6267000    
 C  -0.8681000       1.677700     -0.6132000    
 C  -0.3088000       1.801100      0.8200000    
 C    1.084900       2.468700      0.8550000    
 C    2.215700       1.517900      0.5387000    
 C    2.824300      0.8215000       1.569700    
 C    2.622600       1.362400     -0.7763000    
 C    4.290800     -0.2230000     -4.1400000E-02
 C    3.869300     -5.5100001E-02   1.277600    
 C    3.667600      0.4858000      -1.068300    
 C    4.797900      -2.881100     -0.6981000    
 H   -3.758800     -0.5558000      -2.121100    
 H   -3.999700      -2.244800      -1.727900    
 H   -4.990600     -0.9919000       1.631800    
 H   -4.152600      0.5425000       1.467800    
 H   -6.128100     -0.6363000      -2.049700    
 H   -6.133000      -1.842500     -0.7505000    
 H   -6.600200      0.2232000      0.4199000    
 H   -5.416300       1.122500     -0.5140000    
 H   -1.399200     -0.6429000      0.1866000    
 H  -0.2157000       1.044300      -1.224300    
 H  -0.2412000      0.8099000       1.282900    
 H    1.131200       3.340700      0.1900000    
 H    1.272000       2.877000       1.858800    
 H   -3.801800      -3.990500       1.202300    
 H  -0.9171000       2.676100       2.570900    
 H   -1.338600       3.521300       1.243900    
 H   -1.179700       2.824100      -2.156400    
 H    2.500500      0.9423000       2.599500    
 H    2.146400       1.912300      -1.582800    
 H    4.336000     -0.6024000       2.091800    
 H    3.975100      0.3664000      -2.103300    
 H    4.265500      -3.181400      0.2063000    
 H    5.567800      -3.617300     -0.9391000    
 H    4.108600      -2.775400      -1.537900    


%chk=000130458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130458

0 1
S 5.777531 -1.264266 -0.643583
O -4.585573 -2.884018 1.294678
O -2.363283 -2.404672 1.733417
O -0.517535 2.602028 -1.279503
O -2.852886 1.434715 -1.352427
O 6.503506 -0.567209 -1.935104
O 6.599276 -1.681043 0.710861
N -2.294930 -0.319326 0.090112
N -1.368332 2.676913 1.505213
C -3.626650 -0.961511 0.161615
C -4.134627 -1.482283 -1.239705
C -4.768177 0.014232 0.674236
C -5.653754 -1.196363 -1.255601
C -5.767106 0.152504 -0.503229
C -3.431633 -2.127821 1.133926
C -2.024197 0.829516 -0.589734
C -0.596263 1.411511 -0.439139
C -0.281183 1.807572 1.028175
C 1.141600 2.471150 1.126552
C 2.281113 1.564871 0.698670
C 2.890072 0.676207 1.625535
C 2.745616 1.582166 -0.645646
C 4.340001 -0.147021 -0.114438
C 3.931989 -0.191175 1.227881
C 3.789693 0.728690 -1.064722
C 4.935427 -2.862340 -1.285859
H -3.631172 -0.876869 -2.011950
H -3.882558 -2.543644 -1.407625
H -5.269719 -0.433246 1.550163
H -4.321919 0.973951 0.982694
H -6.050610 -1.147650 -2.285165
H -6.199899 -1.988759 -0.711693
H -6.793575 0.361008 -0.153177
H -5.442869 0.976616 -1.161789
H -1.580997 -0.732437 0.702821
H 0.146651 0.668741 -0.791134
H -0.273589 0.884869 1.645208
H 1.112016 3.378647 0.497376
H 1.279757 2.787917 2.178489
H -4.408267 -3.632417 1.926386
H -1.290508 2.957997 2.487245
H -1.521717 3.477240 0.880364
H -1.413570 2.658573 -1.735449
H 2.559884 0.675564 2.671298
H 2.281412 2.272794 -1.359335
H 4.440773 -0.853341 1.936908
H 4.188416 0.762454 -2.084335
H 4.363969 -3.283971 -0.447759
H 5.766939 -3.512927 -1.590959
H 4.301755 -2.572737 -2.135164


