%chk=000034592.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034592

0 1
 S   -2.713400      -1.787600     -0.5513000    
 O   -3.302100       2.610900       1.268300    
 N  -0.6094000       2.368400     -0.3625000    
 N   -3.187400      0.7379000     -5.1300000E-02
 C  -0.2087000      -1.447600      3.6699999E-02
 C    1.189000      -1.822500      0.4475000    
 C    1.335600      -3.293900      0.8600000    
 C   0.6059000      -4.215200     -0.1100000    
 C  -0.8838000      -3.875200     -0.1649000    
 C   -1.131300      -2.398100     -0.2032000    
 C  -0.7308000     -7.5199999E-02 -9.3000002E-02
 C   -2.241200     -0.1185000     -0.2016000    
 C  -6.7599997E-02   1.106700     -0.1720000    
 C    1.411000       1.177100     -0.1074000    
 C   -1.962700       2.709700     -0.7019000    
 C   -2.875700       2.029500      0.2742000    
 C    2.159200       1.097300      -1.277900    
 C    2.041300       1.324400       1.124400    
 C    3.551000       1.165800      -1.216100    
 C    3.433100       1.392700       1.186200    
 C    4.188000       1.313500      1.5900001E-02
 H    1.876100      -1.627300     -0.3827000    
 H    1.504000      -1.232700       1.311800    
 H    2.398400      -3.558200      0.9031000    
 H   0.9318000      -3.435200       1.870900    
 H   0.7358000      -5.260800      0.1907000    
 H    1.045500      -4.113600      -1.110600    
 H   -1.382000      -4.294100      0.7186000    
 H   -1.321800      -4.362500      -1.044200    
 H   5.6100000E-02   3.137000     -0.3789000    
 H   -2.205100       2.410500      -1.727500    
 H   -2.110900       3.792400     -0.6324000    
 H    1.676300      0.9817000      -2.245000    
 H    1.465800       1.389300       2.044500    
 H    4.138800       1.103500      -2.127300    
 H    3.929000       1.507600       2.145500    
 H    5.271700       1.366400      6.4099997E-02


%chk=000034592-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034592

0 1
S -2.776918 -1.610571 0.910540
O -3.382661 3.365272 0.218180
N -0.511177 2.149191 -0.870113
N -2.917489 1.081373 0.582725
C -0.212422 -1.483843 0.134332
C 1.144362 -1.979339 -0.351717
C 1.411202 -3.451626 0.050792
C 0.186715 -4.353349 -0.218670
C -1.027716 -3.884579 0.621593
C -1.174745 -2.385731 0.537048
C -0.699400 -0.097085 0.059987
C -2.112449 0.038568 0.428338
C 0.074828 1.046777 -0.288010
C 1.525033 1.210982 0.000579
C -1.889057 2.200376 -1.359191
C -2.822067 2.278119 -0.100093
C 2.387524 1.845313 -0.936237
C 2.048960 0.816895 1.262588
C 3.744055 2.074445 -0.619732
C 3.403025 1.050722 1.577521
C 4.255452 1.680059 0.638437
H 1.182422 -1.882119 -1.457795
H 1.963936 -1.349829 0.033547
H 2.295075 -3.826221 -0.499131
H 1.659994 -3.497249 1.130384
H 0.420285 -5.407986 0.019398
H -0.072706 -4.309241 -1.294803
H -0.893443 -4.190724 1.680276
H -1.952281 -4.382465 0.271078
H -0.007059 3.038123 -0.797830
H -2.100620 1.284810 -1.941113
H -2.025715 3.098617 -1.979257
H 2.002605 2.122859 -1.924838
H 1.380588 0.349758 1.994106
H 4.401968 2.551566 -1.354145
H 3.792146 0.751382 2.556584
H 5.307248 1.860850 0.885342


