%chk=000162768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162768

0 1
 S   -3.696600      -2.164000      7.0200004E-02
 O    3.312000     -0.9438000     -0.3351000    
 O    6.112800       1.630400       1.247000    
 O    6.213200      0.9580000      -1.549200    
 O    3.372200       1.680200       2.219500    
 O    3.365200      -1.930700      -2.892500    
 O   -4.091700      -3.282300      0.9183000    
 O   -3.781600      -2.316100      -1.377200    
 N    1.881700     -0.6856000       1.502800    
 N   -4.596700     -0.7784000      0.5581000    
 N   -3.682100       1.347500       1.015500    
 N   -4.294600      0.7287000      -1.231500    
 C    4.972200       1.248300      0.4753000    
 C    5.401200      0.2595000     -0.6095000    
 C    3.916800      0.6437000       1.403600    
 C    4.173700     -0.3406000      -1.303400    
 C    2.786100     -3.5999999E-03  0.6009000    
 C    4.551400      -1.424600      -2.308000    
 C   0.5835000      -1.029400       1.169700    
 C  -0.2486000      -1.694500       2.091000    
 C   5.6899998E-02 -0.7244000     -0.1004000    
 C   -2.058700      -1.729800      0.4911000    
 C   -1.557200      -2.041400       1.754900    
 C   -1.251700      -1.071200     -0.4365000    
 C   -4.165500      0.5097000      8.5800000E-02
 C   -3.286900       2.546000      0.5380000    
 C   -3.880600       1.946000      -1.639900    
 C   -3.363500       2.904300     -0.7923000    
 C   -2.740900       3.516500       1.530900    
 C   -4.001700       2.241500      -3.097100    
 H    4.593600       2.171900      1.9099999E-02
 H    6.018400     -0.5284000     -0.1612000    
 H    4.397100     -8.4100001E-02   2.070300    
 H    3.607100      0.4339000      -1.838300    
 H    2.255300      0.7992000      7.2200000E-02
 H    5.067500      -2.259200      -1.821900    
 H    5.189400      -1.031100      -3.104600    
 H    2.237400      -1.006300       2.396800    
 H    5.804300       2.240600       1.938600    
 H    5.661900       1.634000      -1.979100    
 H    2.694200       1.277100       2.788500    
 H    2.803300      -2.267700      -2.173800    
 H   0.1257000      -1.943300       3.081700    
 H   0.6444000     -0.2242000     -0.8646000    
 H   -2.169800      -2.546900       2.496000    
 H   -1.620400     -0.8203000      -1.427000    
 H   -4.874900     -0.7683000       1.548100    
 H   -3.038300       3.874400      -1.148200    
 H   -3.347500       4.427500       1.546600    
 H   -2.744500       3.090900       2.539800    
 H   -1.708200       3.778100       1.279000    
 H   -3.017200       2.455700      -3.525200    
 H   -4.426200       1.388900      -3.637300    
 H   -4.657300       3.103300      -3.258000    


%chk=000162768-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162768

0 1
S -3.570452 -1.736103 0.565149
O 3.728641 -1.303768 -0.696929
O 6.828750 1.119004 0.770042
O 6.742480 0.450881 -2.022291
O 4.241345 1.241929 2.048971
O 3.582046 -2.145010 -3.391603
O -4.034773 -2.861886 1.645568
O -3.943778 -1.872503 -1.003435
N 2.411984 -0.994697 1.274743
N -4.347603 -0.225151 1.312205
N -5.466191 1.809691 1.110003
N -3.568221 1.271194 -0.342030
C 5.561957 0.774899 0.117724
C 5.912275 -0.203709 -1.012693
C 4.564334 0.162946 1.108001
C 4.623442 -0.674383 -1.709784
C 3.306402 -0.342205 0.361042
C 4.848576 -1.748666 -2.776009
C 1.026991 -1.162267 1.059349
C 0.265086 -1.839757 2.054929
C 0.373368 -0.663749 -0.103898
C -1.732166 -1.464745 0.761516
C -1.123530 -1.999686 1.909876
C -1.019666 -0.805208 -0.251659
C -4.465010 0.995262 0.652227
C -5.567518 3.038932 0.516816
C -3.700078 2.489358 -0.952297
C -4.695655 3.410343 -0.539021
C -6.652502 3.950124 1.036345
C -2.736890 2.786593 -2.076170
H 5.097968 1.686552 -0.319537
H 6.442706 -1.075528 -0.570604
H 5.039675 -0.695952 1.632858
H 4.106073 0.197263 -2.166101
H 2.796755 0.523228 -0.112208
H 5.366202 -2.619052 -2.318756
H 5.472850 -1.340284 -3.584739
H 2.848942 -1.657604 1.920873
H 6.633320 1.745772 1.512544
H 7.501356 0.879447 -1.547398
H 3.514253 0.938976 2.651496
H 2.976522 -2.433920 -2.660201
H 0.764187 -2.235583 2.947229
H 0.945695 -0.192910 -0.907323
H -1.721633 -2.533425 2.655003
H -1.546050 -0.419444 -1.128570
H -5.086274 -0.478957 1.981023
H -4.792608 4.382803 -1.027240
H -7.632240 3.443427 0.982663
H -6.473453 4.186269 2.100926
H -6.702859 4.892024 0.466251
H -2.883654 3.800430 -2.482375
H -1.694587 2.690349 -1.722335
H -2.871191 2.054053 -2.892663


