%chk=000170311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170311

0 1
 S   -3.310500      -1.631700     -0.7938000    
 O    5.998700       1.411000     -0.4316000    
 O    5.287600     -0.2109000       1.012000    
 N    1.550700      0.4091000      -1.082200    
 N    2.413200     -0.8228000      0.5543000    
 N    3.843400      0.7581000     -0.5695000    
 C   -3.956700      4.6300001E-02 -0.4840000    
 C   -5.442500      0.1132000     -0.8500000    
 C   -3.721600      0.4381000      0.9779000    
 C   -6.023800       1.493400     -0.5440000    
 C   -4.307200       1.817600       1.279600    
 C   -5.785300       1.896000      0.9086000    
 C   -1.592100      -1.429700     -0.3438000    
 C  -0.8114000     -0.4961000      -1.032200    
 C   -1.056300      -2.206500      0.6852000    
 C   0.5225000     -0.3826000     -0.6392000    
 C    1.086000      -1.142300      0.3822000    
 C   0.2859000      -2.075400       1.062900    
 C    2.658300      0.1095000     -0.3389000    
 C    5.055400      0.5693000      9.6799999E-02
 C    7.305700       1.336600      0.1498000    
 H   -3.417200      0.7454000      -1.134100    
 H   -6.010100     -0.6404000     -0.2882000    
 H   -5.584600     -0.1039000      -1.915900    
 H   -2.654700      0.4725000       1.222600    
 H   -4.184700     -0.2955000       1.651000    
 H   -7.099200       1.494800     -0.7549000    
 H   -5.566900       2.237000      -1.208600    
 H   -3.749700       2.580200      0.7219000    
 H   -4.182600       2.045800       2.344200    
 H   -6.153400       2.914800       1.074000    
 H   -6.362100       1.236500       1.568700    
 H   -1.203600      0.1112000      -1.840900    
 H   -1.673800      -2.929400       1.214500    
 H   0.6939000      -2.683300       1.864200    
 H    1.499300       1.092500      -1.825700    
 H    3.837100       1.455100      -1.309900    
 H    7.723100      0.3342000      1.5100000E-02
 H    7.263400       1.600100       1.210800    
 H    7.947700       2.056200     -0.3652000    


%chk=000170311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170311

0 1
S -3.254674 -1.505782 -0.909287
O 6.294435 1.227383 -0.631682
O 5.496271 -0.111064 1.140807
N 1.814689 0.303972 -1.278152
N 2.543551 -0.683313 0.661569
N 4.134357 0.620774 -0.680155
C -4.033063 0.169407 -0.362714
C -5.431810 0.259488 -1.004720
C -4.097858 0.299906 1.169686
C -6.135455 1.579875 -0.594755
C -4.793918 1.626193 1.575078
C -6.202308 1.735133 0.943674
C -1.506573 -1.253320 -0.375636
C -0.635889 -0.491463 -1.191109
C -1.048627 -1.865869 0.827344
C 0.691435 -0.358665 -0.745886
C 1.170904 -0.968671 0.464079
C 0.289802 -1.735120 1.257188
C 2.883569 0.068719 -0.388975
C 5.307412 0.497321 0.073590
C 7.627829 1.222796 0.004991
H -3.371499 0.950900 -0.783676
H -6.042149 -0.602383 -0.665206
H -5.351392 0.189471 -2.106026
H -3.080301 0.248612 1.599982
H -4.669438 -0.559064 1.575534
H -7.152503 1.607787 -1.031373
H -5.578466 2.438408 -1.024184
H -4.174922 2.484670 1.240794
H -4.858156 1.689620 2.678464
H -6.668773 2.703551 1.209380
H -6.851919 0.938946 1.362660
H -0.997632 -0.050908 -2.125400
H -1.759870 -2.452176 1.417154
H 0.644564 -2.208780 2.176885
H 1.837893 0.840565 -2.143436
H 4.237113 1.178733 -1.529622
H 8.011771 0.191790 0.084891
H 7.574066 1.668675 1.012501
H 8.259435 1.827883 -0.660557


