%chk=000112212.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112212

0 1
 S    5.673500      -1.801500     -0.5064000    
 O    6.739000     -0.8113000     -0.4432000    
 O    5.814000      -3.061100      0.2113000    
 O    3.703500       3.025500     -0.3415000    
 O    1.672100       2.929200      0.4963000    
 N   -3.387500      0.3700000     -1.2800000E-02
 N   -3.191300       1.363300     -0.9580000    
 N  -0.1898000      0.8438000      0.2509000    
 N   0.6203000      0.8029000       1.205800    
 N   -2.258300     -0.3637000       2.040900    
 N    2.739700       2.382100      0.1348000    
 C   -1.451900       1.454500      0.6314000    
 C   -2.108000       1.992700     -0.6094000    
 C   -2.421300      0.3537000      0.9843000    
 C   -4.517500     -0.4812000     -0.1631000    
 C   -1.549400       3.152300      -1.360500    
 C    4.190000      -1.028100     -6.6000000E-03
 C    1.823100      0.2051000      0.7938000    
 C    2.862300      0.9712000      0.2702000    
 C    4.047100      0.3538000     -0.1306000    
 C    3.148100      -1.792800      0.5180000    
 C    1.963100      -1.175400      0.9186000    
 C   -4.777300      -1.503200      0.7671000    
 C   -5.401600     -0.3201000      -1.244600    
 C    5.405300      -2.207300      -2.217200    
 C   -5.885600      -2.337500      0.6204000    
 C   -6.509900      -1.154200      -1.391300    
 C   -6.751900      -2.162800     -0.4587000    
 H   -1.386500       2.218400       1.411600    
 H   -1.422500       3.998100     -0.6799000    
 H   -2.222900       3.440700      -2.171500    
 H  -0.5776000       2.881200      -1.780800    
 H    4.866300      0.9329000     -0.5491000    
 H    3.235600      -2.870900      0.6178000    
 H    1.156700      -1.779900       1.325600    
 H   -4.142800      -1.690600       1.624100    
 H   -5.248100      0.4536000      -1.992700    
 H    5.217600      -1.287900      -2.774900    
 H    6.306700      -2.694500      -2.595200    
 H    4.555000      -2.887700      -2.292100    
 H   -1.412500     -7.1699999E-02   2.542400    
 H   -6.074700      -3.123500       1.345800    
 H   -7.184800      -1.018700      -2.231400    
 H   -7.614700      -2.812300     -0.5730000    


%chk=000112212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112212

0 1
S 5.794392 -2.249674 -0.217155
O 6.780251 -1.718940 0.972468
O 5.299283 -3.802853 -0.348640
O 4.201696 2.524599 1.758964
O 2.188103 2.994057 0.780560
N -3.614420 0.364837 -0.078150
N -3.620745 1.338793 -1.127966
N -0.279478 0.955278 -0.505630
N 0.629403 0.960155 0.419411
N -2.110285 -0.401784 1.658274
N 3.166560 2.195733 1.062598
C -1.560226 1.514234 0.010780
C -2.473916 1.987439 -1.106613
C -2.415130 0.376614 0.658648
C -4.777862 -0.448922 0.090407
C -2.130010 3.057879 -2.092266
C 4.209070 -1.198166 -0.128048
C 1.845765 0.277431 0.110032
C 3.093726 0.815299 0.538706
C 4.288813 0.074719 0.447157
C 3.006450 -1.776314 -0.572761
C 1.819170 -1.030691 -0.444130
C -4.830196 -1.443423 1.102656
C -5.888422 -0.247520 -0.772549
C 6.604402 -1.767183 -1.885692
C -5.995592 -2.228148 1.238366
C -7.041523 -1.042538 -0.618418
C -7.105878 -2.037521 0.385474
H -1.359104 2.291853 0.774052
H -1.921443 4.018463 -1.583944
H -2.956129 3.205696 -2.805553
H -1.215609 2.784532 -2.651965
H 5.228387 0.485612 0.831653
H 3.006119 -2.795944 -0.973611
H 0.854490 -1.447728 -0.748786
H -3.971668 -1.583727 1.762681
H -5.832944 0.520871 -1.546131
H 6.837651 -0.695040 -1.831963
H 7.511162 -2.385617 -1.942863
H 5.884042 -2.013764 -2.677537
H -1.167494 -0.214797 2.049975
H -6.030510 -2.993483 2.021826
H -7.894000 -0.881966 -1.287894
H -8.005751 -2.651253 0.500177


