%chk=000148550.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148550

0 1
 S   -5.693700      0.1036000       1.417900    
 O   -1.762700     -0.6218000      -2.994100    
 O   -6.872700     -0.4430000       2.063400    
 O   -4.800700      0.9872000       2.140800    
 N   0.3709000     -0.1542000      -1.219300    
 N    3.978800      0.6223000      0.7675000    
 N   -4.822100      -1.191200      0.6898000    
 C    1.593900      0.1090000     -0.5449000    
 C    2.436300     -0.9520000     -0.1976000    
 C    1.945000       1.426900     -0.2352000    
 C    3.635700     -0.6452000      0.4670000    
 C    3.163600       1.640600      0.4307000    
 C    4.478800      -1.697100      0.8154000    
 C  -0.9255000     -0.4131000     -0.7550000    
 C    2.108500      -2.286000     -0.4961000    
 C    1.117400       2.512100     -0.5721000    
 C    4.156200      -3.024000      0.5201000    
 C   -1.978700     -0.6443000      -1.648400    
 C    3.518800       2.950500      0.7417000    
 C    2.968600      -3.319500     -0.1370000    
 C   -1.177600     -0.4427000      0.6220000    
 C   -3.506500     -0.9285000      0.2016000    
 C    5.769500      -1.428300       1.525500    
 C   -3.264200     -0.9011000      -1.171800    
 C    1.495500       3.812100     -0.2498000    
 C   -2.463100     -0.6993000       1.098600    
 C    2.698700       4.031300      0.4084000    
 C   -6.252800      0.9626000     -3.5900000E-02
 C   -1.916100      0.6332000      -3.653400    
 H   0.4775000     -0.1863000      -2.228900    
 H    1.190300      -2.551900      -1.013200    
 H   0.1721000       2.376800      -1.091000    
 H    4.822500      -3.836600      0.7970000    
 H    4.456900       3.148200       1.257400    
 H    2.713600      -4.348800     -0.3698000    
 H  -0.3849000     -0.2708000       1.345700    
 H    5.580600     -0.9378000       2.486300    
 H    6.324500      -2.349700       1.732400    
 H    6.414700     -0.7886000      0.9140000    
 H   -4.075200      -1.079000      -1.874300    
 H   0.8551000       4.648600     -0.5120000    
 H   -2.633200     -0.7302000       2.171600    
 H    3.003300       5.041900      0.6644000    
 H   -5.379400      -1.802800      7.8199998E-02
 H   -6.829600      0.2743000     -0.6565000    
 H   -6.889600       1.789300      0.2873000    
 H   -5.391000       1.354900     -0.5781000    
 H   -1.230000       1.378200      -3.238600    
 H   -2.948700      0.9861000      -3.567000    
 H   -1.681800      0.4945000      -4.712400    


%chk=000148550-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148550

0 1
S -5.972169 1.102797 1.018667
O -1.473062 -1.064386 -2.815142
O -7.586373 0.866942 0.967066
O -5.247457 1.731040 2.334664
N 0.342836 -0.390796 -1.045170
N 4.003702 0.591507 0.985516
N -5.043866 -0.755750 0.661786
C 1.524047 -0.049011 -0.336426
C 2.618236 -0.973435 -0.358684
C 1.677834 1.209121 0.327946
C 3.860726 -0.588606 0.305599
C 2.946174 1.462368 1.006368
C 5.002336 -1.487402 0.274854
C -0.975586 -0.419695 -0.580179
C 2.534136 -2.265168 -0.984839
C 0.686575 2.251991 0.314566
C 4.872074 -2.714149 -0.378520
C -1.988204 -0.788913 -1.533247
C 3.123830 2.706333 1.708939
C 3.639613 -3.110432 -0.996190
C -1.370084 -0.178039 0.764388
C -3.720882 -0.634281 0.197459
C 6.288344 -1.074311 0.953591
C -3.337331 -0.862072 -1.166438
C 0.903218 3.450919 0.988323
C -2.714627 -0.288588 1.148894
C 2.126116 3.675286 1.708918
C -5.515590 2.295225 -0.439069
C -2.412968 -1.494940 -3.852648
H 0.460187 -0.803421 -1.976376
H 1.589009 -2.600387 -1.425279
H -0.244365 2.100726 -0.238421
H 5.727123 -3.399507 -0.406449
H 4.078279 2.852988 2.223572
H 3.569625 -4.096974 -1.467537
H -0.610878 0.071187 1.510023
H 6.119503 -0.879978 2.027749
H 7.061993 -1.853642 0.845400
H 6.669767 -0.126624 0.533195
H -4.105649 -1.121844 -1.903312
H 0.137850 4.234187 0.967511
H -3.018829 -0.126231 2.186623
H 2.272699 4.619495 2.244397
H -5.698920 -1.131066 -0.056241
H -6.017571 1.907788 -1.336068
H -5.907822 3.274254 -0.130226
H -4.420260 2.292057 -0.519676
H -3.154256 -0.701811 -4.067758
H -2.933485 -2.425020 -3.554579
H -1.798097 -1.679332 -4.745241


