%chk=000060037.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060037

0 1
 S   -1.520600      -1.314700      0.9934000    
 S   -4.405200      -1.017600      0.3796000    
 O    6.985300     -1.8700000E-02  0.3145000    
 O   -3.796900       4.617000     -9.2900001E-02
 N   -3.017900      -3.381800      5.2299999E-02
 N    1.544900     -0.9501000     -0.3743000    
 N   0.5998000       1.226100     -0.1371000    
 C   -1.815900      -4.219600      0.1041000    
 C   -4.204500      -4.087300     -0.4382000    
 C   -3.048800      -2.024300      0.4283000    
 C  -0.8756000     -0.7281000     -0.5913000    
 C   -1.656900      -4.879000       1.458400    
 C   -4.351200      -3.948700      -1.939400    
 C   0.4812000     -5.5700000E-02 -0.3584000    
 C    2.925900     -0.7139000     -0.1999000    
 C  -0.5105000       2.081600     -0.1262000    
 C    3.736700      -1.700100      0.3617000    
 C    3.479300      0.5061000     -0.5889000    
 C    5.654300     -0.2465000      0.1455000    
 C    5.101000      -1.466600      0.5344000    
 C    4.843500      0.7397000     -0.4161000    
 C   -1.199100       2.315300       1.064300    
 C  -0.9264000       2.700200      -1.305200    
 C   -2.719200       3.785700     -0.1035000    
 C   -2.303400       3.167200       1.075600    
 C   -2.030600       3.552200      -1.294000    
 C    7.485500       1.250200     -0.1048000    
 C   -4.454700       4.811300       1.158100    
 H   -1.880400      -4.986200     -0.6773000    
 H  -0.9206000      -3.639100     -0.1291000    
 H   -4.136800      -5.145700     -0.1611000    
 H   -5.102900      -3.703800      5.4600000E-02
 H  -0.7417000      -1.575200      -1.272500    
 H   -1.583400     -4.8200000E-02  -1.069400    
 H   -1.573600      -4.141900       2.262700    
 H   -2.513600      -5.520800       1.688400    
 H  -0.7562000      -5.500600       1.474000    
 H   -4.441800      -2.901900      -2.244800    
 H   -3.485700      -4.369400      -2.461700    
 H   -5.243900      -4.480200      -2.283700    
 H    1.315600      -1.941100     -0.4002000    
 H    3.317500      -2.654500      0.6701000    
 H    2.888600       1.283100      -1.063400    
 H    5.727600      -2.238400      0.9727000    
 H    5.209500       1.705700     -0.7473000    
 H  -0.8785000       1.843700       1.989600    
 H  -0.3959000       2.524400      -2.237500    
 H   -2.791200       3.305000       2.034500    
 H   -2.350000       4.031000      -2.215600    
 H    8.560000       1.259400      0.1050000    
 H    7.040300       2.068600      0.4712000    
 H    7.369400       1.391500      -1.184700    
 H   -4.885900       3.877700       1.535300    
 H   -3.794500       5.289000       1.890000    
 H   -5.287600       5.499800      0.9819000    


%chk=000060037-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060037

0 1
S -2.271467 -1.169325 -0.162157
S -1.134453 -2.973216 -2.484581
O 6.502634 -0.995715 -0.703965
O -3.028910 5.742144 1.531696
N -2.435437 -3.872757 -0.257343
N 0.897803 -0.501647 -1.341410
N 0.313046 1.620919 -0.466008
C -3.133859 -3.740072 1.053453
C -2.288500 -5.267718 -0.767901
C -1.946935 -2.816076 -0.971507
C -1.461970 0.061668 -1.362021
C -4.659997 -3.568155 0.901866
C -0.967925 -5.917347 -0.309073
C -0.036780 0.462933 -0.990715
C 2.301573 -0.533500 -1.138790
C -0.596819 2.582346 0.030865
C 2.990857 -1.701982 -1.579783
C 3.044558 0.513089 -0.535050
C 5.116110 -0.773278 -0.813181
C 4.379002 -1.821617 -1.420075
C 4.443327 0.390661 -0.372268
C -1.615975 2.289749 0.980714
C -0.416821 3.944692 -0.356685
C -2.265570 4.646425 1.083643
C -2.443803 3.308028 1.507996
C -1.243709 4.958953 0.150006
C 7.302109 0.068486 -0.097595
C -4.082147 5.467598 2.507927
H -2.903911 -4.653035 1.632133
H -2.699132 -2.890010 1.608298
H -3.159778 -5.840191 -0.399737
H -2.332974 -5.234694 -1.869161
H -1.500015 -0.432749 -2.350678
H -2.132732 0.932497 -1.339831
H -4.897975 -2.642200 0.351872
H -5.106614 -4.421250 0.360346
H -5.132435 -3.510846 1.899159
H -0.107977 -5.354284 -0.708806
H -0.890192 -5.947313 0.792896
H -0.909303 -6.954499 -0.685545
H 0.493686 -1.336761 -1.795182
H 2.428725 -2.518092 -2.050790
H 2.514004 1.408405 -0.206644
H 4.913517 -2.714580 -1.757810
H 4.989355 1.214602 0.097639
H -1.733268 1.262107 1.344799
H 0.384011 4.181866 -1.064266
H -3.206580 3.044841 2.247549
H -1.114061 6.002079 -0.154847
H 8.337997 -0.301744 -0.115311
H 6.993078 0.261031 0.948876
H 7.231817 1.008214 -0.680256
H -4.841397 4.771053 2.099781
H -3.665606 5.049146 3.445752
H -4.547884 6.442919 2.713407


