%chk=000158873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158873

0 1
 S   -1.134000     -0.3680000     -0.9214000    
 O   -1.610700      0.2242000      -2.156500    
 O  -9.8800004E-02  -1.383400     -0.9508000    
 O  -5.7399999E-02   2.877400      0.9407000    
 O   -2.098400       2.618100      0.1451000    
 N   -2.468700     -0.9178000      1.9300001E-02
 N   0.8697000       1.015100      0.3841000    
 N    1.145400       2.149400       1.000600    
 C  -0.4006000      0.9725000     -5.4600000E-02
 C   -2.180000      -1.403600       1.392300    
 C   -3.484800      -1.756400     -0.6659000    
 C    1.933000      6.7400001E-02  0.2974000    
 C   -3.345400      -1.129800       2.327900    
 C   -4.604500     -0.9039000      -1.238600    
 C  -0.9944000       2.123200      0.2816000    
 C    2.809500      7.5400002E-02 -0.7874000    
 C    2.090900     -0.8734000       1.315100    
 C    3.844300     -0.8575000     -0.8546000    
 C    2.657000       1.075700      -1.885300    
 C    3.125700      -1.806200       1.247900    
 C    4.002400      -1.798400      0.1631000    
 H   -1.948700      -2.474500       1.370200    
 H   -1.299900     -0.8916000       1.793900    
 H   -3.003100      -2.321300      -1.473100    
 H   -3.910800      -2.510600      3.7000000E-03
 H   -3.595800     -6.3699998E-02   2.334600    
 H   -4.245800      -1.681200       2.042800    
 H   -3.085100      -1.424800       3.349500    
 H   -5.104700     -0.3376000     -0.4461000    
 H   -4.229900     -0.1867000      -1.974400    
 H   -5.349900      -1.536100      -1.730900    
 H    1.412000     -0.8866000       2.163400    
 H    4.536000     -0.8652000      -1.692700    
 H    3.428800      0.9562000      -2.653600    
 H    1.686800      0.9596000      -2.379000    
 H    2.744600       2.094200      -1.493700    
 H    3.248600      -2.538900       2.040100    
 H    4.807900      -2.524900      0.1109000    


%chk=000158873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158873

0 1
S -0.832739 -0.875302 -0.728164
O -1.007264 -0.770374 -2.351268
O 0.194443 -1.975681 -0.089068
O -0.117171 2.953714 0.615011
O -2.251483 2.291928 -0.315786
N -2.596550 -0.932700 0.149335
N 0.998538 1.071166 0.332150
N 1.157509 2.355512 0.783661
C -0.271051 0.783254 -0.116382
C -2.569257 -2.081683 1.110674
C -3.668225 -0.999844 -0.897918
C 2.187092 0.226364 0.350946
C -3.693919 -1.887896 2.148935
C -4.748432 0.067466 -0.626470
C -1.101712 1.945356 -0.031434
C 2.829843 -0.092036 -0.874081
C 2.668297 -0.190444 1.608084
C 3.997379 -0.889084 -0.778218
C 2.318404 0.391728 -2.216412
C 3.831938 -0.983178 1.666280
C 4.491773 -1.335738 0.467068
H -2.687104 -3.058998 0.595266
H -1.588459 -2.089219 1.617385
H -3.207008 -0.807129 -1.887465
H -4.098978 -2.022528 -0.935397
H -3.602348 -0.906393 2.643850
H -4.693582 -1.955663 1.687279
H -3.616976 -2.681420 2.914434
H -5.264676 -0.107385 0.332629
H -4.288412 1.067953 -0.597515
H -5.500438 0.038869 -1.437200
H 2.131521 0.095855 2.517542
H 4.525362 -1.156685 -1.700188
H 3.105224 0.299529 -2.982798
H 1.447528 -0.197698 -2.561733
H 2.000959 1.449823 -2.182684
H 4.215595 -1.321790 2.633571
H 5.395578 -1.953351 0.501681


