%chk=000076044.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076044

0 1
 S  -0.7137000     -0.1353000      -1.314200    
 O   -4.010000     -0.7552000      -2.866200    
 O   -4.099300      -1.485000     -0.7201000    
 N   -4.364200       1.417900     -0.3089000    
 C   0.6086000     -3.5000000E-02 -8.7600000E-02
 C   0.1080000     -0.8083000       1.172200    
 C    1.854000     -0.7118000     -0.7419000    
 C   0.8377000       1.482100      0.1933000    
 C   -2.023000      0.6868000     -0.3512000    
 C   0.6346000     -0.4545000       2.377000    
 C    2.698300      -1.397700      7.6700002E-02
 C   5.8499999E-02   2.070700       1.142800    
 C  -0.8221000      -1.784500      0.9817000    
 C    2.011100     -0.5707000      -2.087000    
 C    1.801900       2.117400     -0.5292000    
 C   -3.337100      0.7734000      -1.129700    
 C   0.1870000      -1.145500       3.503000    
 C    3.810800      -2.002700     -0.5078000    
 C   0.2633000       3.427400       1.394300    
 C   -1.269600      -2.475300       2.107800    
 C    3.123700      -1.175900      -2.671400    
 C    2.006600       3.474000     -0.2776000    
 C  -0.7650000      -2.155700       3.368500    
 C    4.023600      -1.891800      -1.881700    
 C    1.237400       4.129000      0.6843000    
 C   -3.861000     -0.5939000      -1.527100    
 H   -1.762500       1.736100     -0.2237000    
 H   -2.221700      0.2303000      0.6195000    
 H    1.416000      0.2853000       2.511200    
 H    2.593000      -1.499700       1.146700    
 H  -0.7148000       1.588700       1.727600    
 H   -1.198900      -2.156300      3.7799999E-02
 H    1.386600      1.5500000E-02  -2.750100    
 H    2.436400       1.682200      -1.284400    
 H   -3.194000       1.374900      -2.036400    
 H   0.5901000     -0.9066000       4.482800    
 H    4.514800      -2.556100      0.1071000    
 H  -0.3359000       3.938400       2.142400    
 H   -1.996000      -3.276000       2.002200    
 H    3.297800      -1.079100      -3.739200    
 H    2.765200       4.021600     -0.8295000    
 H   -1.107900      -2.698900       4.244200    
 H    4.892200      -2.359400      -2.336300    
 H    1.396900       5.185300      0.8801000    
 H   -5.205200       1.563500     -0.8664000    
 H   -4.046800       2.345000     -2.8300000E-02
 H   -4.333800      -1.653000      -3.092800    


%chk=000076044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076044

0 1
S -0.744008 0.066498 -1.426489
O -5.127730 -0.933832 -2.301785
O -3.640014 -1.773365 -0.731833
N -4.561203 1.518679 -1.063715
C 0.653953 0.073840 -0.020475
C 0.180603 -0.717462 1.217154
C 1.827457 -0.650894 -0.727727
C 0.952290 1.553132 0.307811
C -2.260805 0.786929 -0.561183
C 0.771564 -0.456703 2.483793
C 2.603205 -1.624361 -0.047550
C 0.068496 2.279355 1.156940
C -0.748757 -1.782767 1.116144
C 2.175403 -0.340564 -2.072357
C 2.080178 2.239782 -0.212426
C -3.474710 0.609095 -1.491979
C 0.433193 -1.229233 3.616529
C 3.688184 -2.265972 -0.687246
C 0.288778 3.640602 1.450562
C -1.092495 -2.552298 2.249878
C 3.253286 -0.986091 -2.714365
C 2.305101 3.603147 0.084353
C -0.504055 -2.282024 3.505969
C 4.019743 -1.952609 -2.023430
C 1.408497 4.315361 0.910894
C -4.031513 -0.818833 -1.428931
H -2.086584 1.860669 -0.380603
H -2.424792 0.263585 0.393764
H 1.500692 0.354445 2.584664
H 2.357741 -1.893150 0.983475
H -0.783429 1.766466 1.614641
H -1.219653 -1.995352 0.150983
H 1.586611 0.400891 -2.623417
H 2.799623 1.706935 -0.839562
H -3.150598 0.774351 -2.550132
H 0.902616 -1.008222 4.581967
H 4.268403 -3.016727 -0.138831
H -0.408449 4.170934 2.109326
H -1.826201 -3.359186 2.145754
H 3.492291 -0.733753 -3.753683
H 3.188325 4.105077 -0.327112
H -0.773319 -2.878429 4.385136
H 4.856505 -2.456163 -2.520477
H 1.584699 5.372066 1.141085
H -5.437732 1.380040 -1.576213
H -4.274890 2.500686 -1.014318
H -5.504899 -1.852975 -2.240484


