%chk=000041790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041790

0 1
 S   -2.551300      -1.376200     -7.9999998E-04
 O    3.080300      -2.265400       0.000000    
 O    3.804500       2.369700      6.0000003E-04
 N   0.1652000      -1.588900     -3.9999999E-04
 N    1.607500       1.603100     -3.0000001E-04
 N    3.467400      5.1600002E-02  1.1000000E-03
 N  -0.5957000      0.5066000     -1.4000000E-03
 N   -7.329800      0.7135000      1.2300000E-02
 C    1.267000     -0.7824000     -6.0000003E-04
 C   0.7733000      0.4937000     -1.0000000E-03
 C  -0.9320000     -0.7668000     -8.9999998E-04
 C    2.655000      -1.113400      6.9999998E-04
 C    3.013100       1.419900      9.9999997E-05
 C   0.1722000      -3.035600      1.9999999E-04
 C   -3.571400      0.1387000     -1.7000000E-03
 C    1.034000       2.943200     -1.9999999E-04
 C   -5.057800     -0.2104000     -1.6000000E-03
 C    4.911400     -0.1581000      2.7999999E-03
 C   -5.912900       1.057200     -8.8999998E-03
 H  -0.8194000      -3.446500     -0.1879000    
 H   0.8414000      -3.378200     -0.7937000    
 H   0.5333000      -3.371500      0.9758000    
 H   -3.322900      0.7312000      0.8854000    
 H   -3.322800      0.7296000     -0.8898000    
 H   0.4165000       3.065700     -0.8954000    
 H    1.810500       3.712300      5.0000002E-04
 H   0.4154000       3.065100      0.8943000    
 H   -5.298600     -0.8098000      0.8862000    
 H   -5.298900     -0.8193000     -0.8828000    
 H    5.187100      -1.214900      7.4000000E-03
 H    5.333900      0.3291000      0.8875000    
 H    5.334500      0.3216000     -0.8856000    
 H   -5.702300       1.654700     -0.9023000    
 H   -5.683300       1.677900      0.8638000    
 H   -7.533000      0.1492000      0.8366000    
 H   -7.551500      0.1254000     -0.7903000    


%chk=000041790-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041790

0 1
S -2.594473 -1.560411 0.015225
O 3.270226 -2.263171 -0.021008
O 3.768791 2.429319 -0.027164
N 0.190427 -1.702593 -0.000884
N 1.579642 1.582408 -0.011677
N 3.488376 0.101305 -0.022989
N -0.616968 0.444531 0.001937
N -7.381721 0.875471 0.030975
C 1.306343 -0.839937 -0.006935
C 0.769881 0.457332 -0.005386
C -0.929177 -0.883664 0.004939
C 2.716024 -1.116796 -0.017099
C 2.988635 1.434062 -0.020939
C 0.217090 -3.174738 0.002931
C -3.570597 0.079138 0.016096
C 0.988463 2.933654 -0.009261
C -5.073341 -0.230757 0.023718
C 4.964417 -0.020367 -0.033221
C -5.925457 1.078293 0.023802
H -0.297247 -3.568832 -0.891085
H 1.270336 -3.494564 -0.005458
H -0.281738 -3.564045 0.907769
H -3.245999 0.638161 0.908066
H -3.254365 0.634106 -0.881408
H 0.353245 3.070993 -0.900420
H 1.816564 3.657016 -0.017668
H 0.368559 3.074652 0.892084
H -5.337619 -0.828881 0.918299
H -5.345718 -0.833914 -0.865042
H 5.203943 -1.093655 -0.025135
H 5.390830 0.479451 0.851718
H 5.377797 0.461745 -0.934189
H -5.663934 1.683393 -0.865649
H -5.655884 1.688542 0.907315
H -7.753807 0.449185 0.884072
H -7.761646 0.445171 -0.816628


