%chk=000133393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133393

0 1
 S    3.245900      0.9181000      9.9100001E-02
 O   -3.608900      -1.510600      -1.110600    
 O   0.3098000       1.041400      -1.418200    
 O   -4.922700      -3.241300      -1.823200    
 N  -0.8136000       2.108600      0.3506000    
 N   0.9860000       4.089700      -1.142100    
 C    1.375400       2.921200     -0.3481000    
 C   -4.398700     -7.9999998E-02  0.7050000    
 C    2.738200       2.405700     -0.8213000    
 C   -1.999100       1.382300      0.4644000    
 C   -3.427400     -0.4189000     -0.2382000    
 C   0.2495000       1.902100     -0.5442000    
 C   -5.624500     -0.8868000      0.7739000    
 C   -2.234600      0.2946000     -0.3698000    
 C   -4.142300       1.018900       1.535900    
 C   -2.951200       1.744100       1.415800    
 C    4.871400      0.6916000     -0.6560000    
 C   -5.770100      -1.919200     -6.8700001E-02
 C    5.594300     -0.5035000     -9.8700002E-02
 C   -6.688100     -0.5479000       1.777100    
 C   -4.754600      -2.289600      -1.068700    
 C    5.430000      -1.745100     -0.6989000    
 C    6.417400     -0.3512000       1.009600    
 C    6.100500      -2.853700     -0.1818000    
 C    7.088000      -1.459600       1.526500    
 C    6.929600      -2.710900      0.9308000    
 H    1.431000       3.211300      0.7078000    
 H    2.710700       2.150500      -1.887000    
 H    3.498700       3.181300     -0.6763000    
 H   -1.546800     -5.1199999E-02  -1.128200    
 H  -0.7197000       2.886300       1.000300    
 H   -4.857200       1.335300       2.291000    
 H   -2.781800       2.591800       2.075600    
 H    5.474200       1.593400     -0.4969000    
 H    4.754600      0.5793000      -1.740200    
 H   -6.663000      -2.536700     -4.5699999E-02
 H    1.687100       4.821900      -1.032700    
 H   0.9884000       3.850900      -2.133700    
 H   -7.542100      -1.231700       1.714100    
 H   -7.072400      0.4640000       1.609900    
 H   -6.295900     -0.6148000       2.797400    
 H    4.786100      -1.868300      -1.565200    
 H    6.547600      0.6183000       1.482300    
 H    5.976800      -3.828100     -0.6453000    
 H    7.733200      -1.348600       2.393000    
 H    7.451500      -3.574000       1.333500    


%chk=000133393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133393

0 1
S 4.403809 2.203877 -0.219680
O -2.745272 -2.071493 -0.497429
O 1.124428 0.819583 -0.552469
O -3.718929 -4.112403 -0.958723
N -0.553376 2.169178 0.408926
N 0.877684 4.362910 0.301616
C 1.684920 3.112558 0.222246
C -4.067835 -0.252999 0.514347
C 2.861691 3.150210 -0.793706
C -1.685990 1.327740 0.420331
C -2.839980 -0.765994 -0.005846
C 0.733576 1.906826 -0.031590
C -5.241176 -1.119854 0.530202
C -1.657985 -0.002712 -0.059827
C -4.060472 1.090347 0.989387
C -2.900256 1.869902 0.946554
C 4.234921 0.559166 -1.211249
C -5.130422 -2.408190 0.040286
C 4.952459 -0.552025 -0.486159
C -6.556685 -0.608868 1.075707
C -3.896782 -2.967793 -0.500287
C 4.268415 -1.328709 0.486387
C 6.314319 -0.842156 -0.759202
C 4.930859 -2.373540 1.166330
C 6.980517 -1.885435 -0.076993
C 6.290071 -2.654221 0.888154
H 2.118552 2.948927 1.228713
H 2.565565 2.754255 -1.780016
H 3.198182 4.194638 -0.913567
H -0.742982 -0.434783 -0.467595
H -0.632589 3.156740 0.723638
H -4.980180 1.521853 1.396545
H -2.914777 2.900294 1.319588
H 4.662516 0.747067 -2.209199
H 3.150489 0.379929 -1.271426
H -5.986896 -3.088056 0.034662
H 1.295244 5.080612 0.903166
H 0.637025 4.750136 -0.619951
H -7.336928 -1.384683 1.020798
H -6.908931 0.272518 0.507375
H -6.456555 -0.297162 2.132427
H 3.215016 -1.110237 0.697336
H 6.851191 -0.248484 -1.509504
H 4.389303 -2.971816 1.907908
H 8.031941 -2.100289 -0.299592
H 6.803505 -3.466463 1.415282


