%chk=000068920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068920

0 1
 S   -2.540400      -2.778100     -0.5247000    
 O    1.018200       2.216700      0.5013000    
 O   -1.486900       2.984100      0.1836000    
 O   -4.082000       2.032800      0.2012000    
 O   -3.886000      -2.945400      -1.058300    
 O   -1.411500      -3.353700      -1.243200    
 N    5.258000      0.3237000     -9.3400002E-02
 N    1.609000      0.5060000     -0.9507000    
 N   -2.514900      -3.354800       1.083800    
 C    3.808900      0.1107000      2.5900001E-02
 C    3.682000      -1.409400     -9.4300002E-02
 C    5.029000      -1.962600      0.3581000    
 C    5.863500     -0.7419000      0.7090000    
 C    3.001000      0.8317000      -1.045700    
 C    5.687100       1.641900      0.3580000    
 C   0.7140000       1.235900     -0.1725000    
 C  -0.6912000      0.7538000     -0.1594000    
 C  -0.9146000     -0.5985000     -0.3283000    
 C   -1.724600       1.651000      1.8100001E-02
 C   -2.226300      -1.072700     -0.3179000    
 C   -3.036400       1.176800      2.8200001E-02
 C   -3.287200     -0.1852000     -0.1391000    
 C   -2.059200       3.866900     -0.7781000    
 C   -1.300400      -3.201400       1.897500    
 C   -4.509100       2.271800       1.540700    
 H    3.458000      0.4086000       1.024800    
 H    2.868400      -1.790700      0.5327000    
 H    3.486700      -1.731500      -1.124500    
 H    5.491400      -2.526500     -0.4606000    
 H    4.924200      -2.637900       1.213300    
 H    6.919500     -0.8928000      0.4635000    
 H    5.781600     -0.5360000       1.784100    
 H    3.333400      0.5459000      -2.050400    
 H    3.115200       1.917400     -0.9568000    
 H    5.387400       1.847400       1.391900    
 H    5.275400       2.428300     -0.2825000    
 H    6.777600       1.728400      0.2948000    
 H    1.280600     -0.2620000      -1.526500    
 H  -9.7599998E-02  -1.305800     -0.4271000    
 H   -4.314000     -0.5411000     -0.1226000    
 H   -3.400600      -3.393100       1.603100    
 H   -2.997400       4.279700     -0.3970000    
 H   -1.362300       4.696700     -0.9291000    
 H   -2.221800       3.378900      -1.745500    
 H   -1.302500      -2.228400       2.395000    
 H   -1.290900      -3.980700       2.664900    
 H  -0.3961000      -3.312100       1.294500    
 H   -3.696200       2.702300       2.134100    
 H   -5.337600       2.984800       1.513900    
 H   -4.860400       1.343400       2.002100    


%chk=000068920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068920

0 1
S -2.666503 -3.033578 0.028553
O 1.064764 1.863244 1.237551
O -1.512361 2.943111 -0.101571
O -4.252488 1.970101 -0.193530
O -4.100469 -3.261485 -0.697773
O -1.277956 -3.743488 -0.429341
N 5.221258 0.503317 0.253986
N 1.559351 0.721733 -0.736192
N -2.934242 -3.590131 1.755747
C 3.842870 -0.028586 0.049969
C 4.037496 -1.359645 -0.739944
C 5.514062 -1.317474 -1.223026
C 6.208451 -0.548678 -0.081645
C 2.998442 1.037639 -0.702010
C 5.451706 1.225812 1.512495
C 0.695952 1.148138 0.259061
C -0.730498 0.655682 0.099323
C -0.993619 -0.735527 0.123273
C -1.808012 1.573618 -0.033316
C -2.326137 -1.164208 0.031483
C -3.156418 1.096270 -0.075986
C -3.418146 -0.290364 -0.066418
C -1.926411 3.623749 -1.356718
C -1.776935 -3.474372 2.662609
C -4.420590 2.929525 0.929765
H 3.335954 -0.226452 1.022450
H 3.885478 -2.225180 -0.069938
H 3.320939 -1.464468 -1.575272
H 5.602738 -0.746612 -2.164946
H 5.939611 -2.322641 -1.383552
H 7.171856 -0.098085 -0.384394
H 6.408724 -1.235939 0.780311
H 3.374705 1.142018 -1.735217
H 3.113258 2.008824 -0.190863
H 5.421512 0.561053 2.412356
H 4.684852 2.008535 1.647845
H 6.439308 1.721319 1.486584
H 1.188371 0.151584 -1.498369
H -0.180190 -1.466014 0.188430
H -4.446649 -0.654130 -0.154741
H -3.836819 -3.210935 2.081363
H -3.010524 3.512499 -1.534014
H -1.660312 4.680079 -1.206927
H -1.358225 3.208626 -2.209264
H -1.535348 -2.439575 2.986705
H -1.991941 -4.089467 3.554191
H -0.900082 -3.914449 2.158720
H -3.508278 3.533796 1.076215
H -5.268832 3.566148 0.638593
H -4.661671 2.378361 1.857289


