%chk=000150631.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150631

1 1
 S   -1.840700      -2.349200       1.673000    
 O   -2.909800       1.119200     -0.4349000    
 O   -3.939400       2.902300      0.6129000    
 N   9.1100000E-02  -2.039200      0.1058000    
 N    3.530000       1.075200     -0.6368000    
 N    2.667700      0.8483000       1.602000    
 N    3.008900     -0.5454000      -2.287800    
 C  -0.9924000      -1.541500     -0.5831000    
 C   -2.125600      -1.643900      0.1489000    
 C    1.432500      -2.061500     -0.4267000    
 C   -3.529900      -1.225400     -0.2165000    
 C  -0.1769000      -2.503900       1.307100    
 C    2.142200     -0.7861000     -6.3500002E-02
 C  -0.7736000      -1.004700      -1.934500    
 C   -3.823200      0.2150000      0.1945000    
 C    2.892100     -6.9399998E-02 -0.9587000    
 C    2.056300     -0.2892000       1.211400    
 C    3.377200       1.470600      0.6414000    
 C    4.067900       2.732000       1.035200    
 C   -3.087700       2.436700     -0.1321000    
 C   -2.066800       3.259800     -0.8576000    
 H    1.398800      -2.270800      -1.497900    
 H    1.987000      -2.902000      1.2800000E-02
 H   -4.263900      -1.896500      0.2457000    
 H   -3.655600      -1.325700      -1.301500    
 H   0.5515000      -2.943800       1.974800    
 H  -5.2299999E-02 -0.1830000      -1.929300    
 H  -0.4299000      -1.783500      -2.622100    
 H   -1.698000     -0.6013000      -2.359800    
 H   -3.739200      0.3221000       1.283000    
 H   -4.845700      0.4721000     -0.1065000    
 H    1.521600     -0.7741000       2.016100    
 H    3.549400      3.7599999E-02  -2.916500    
 H    3.075800      -1.544900      -2.434600    
 H    3.389800       3.580500      0.9043000    
 H    4.381600       2.691500       2.083100    
 H    4.958700       2.897200      0.4211000    
 H   -2.194300       3.141500      -1.936600    
 H   -1.061800       2.956000     -0.5533000    
 H   -2.203600       4.314700     -0.6033000    


%chk=000150631-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150631

1 1
S -1.955042 -2.639211 1.530467
O -2.736259 1.048706 -0.094539
O -3.388390 2.613892 1.502867
N -0.014079 -2.212691 -0.122123
N 3.825097 0.881973 -0.433077
N 1.714913 1.602088 0.519820
N 4.161549 -1.243539 -1.310356
C -1.140518 -1.647144 -0.786312
C -2.297346 -1.774030 -0.031750
C 1.382414 -2.063402 -0.632786
C -3.657769 -1.189484 -0.283426
C -0.271301 -2.759736 1.083722
C 1.950546 -0.681180 -0.341939
C -0.998179 -1.017855 -2.142001
C -3.824426 0.178670 0.415282
C 3.305184 -0.358161 -0.698578
C 1.217191 0.357359 0.267733
C 3.027600 1.816254 0.157594
C 3.610367 3.178220 0.412353
C -2.627533 2.315021 0.563836
C -1.508791 3.136275 -0.020858
H 1.357154 -2.273124 -1.719820
H 1.989711 -2.858391 -0.158172
H -4.457213 -1.864501 0.073064
H -3.805658 -1.067660 -1.370379
H 0.486502 -3.215460 1.716580
H -0.166299 -0.293255 -2.165761
H -0.825155 -1.780554 -2.923816
H -1.911995 -0.463200 -2.395990
H -3.751886 0.099607 1.515604
H -4.803049 0.624761 0.166516
H 0.172293 0.210612 0.568090
H 5.105452 -0.910628 -1.510559
H 3.908584 -2.190860 -1.577083
H 3.386329 3.851579 -0.437114
H 3.164064 3.625025 1.314350
H 4.704454 3.118293 0.511958
H -1.463856 3.019265 -1.115801
H -0.530518 2.819842 0.393390
H -1.664342 4.193922 0.238516


