%chk=000111972.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111972

0 1
 S   -7.051900      0.6520000      2.3000001E-03
 O   -6.519400       2.198000      1.1000000E-03
 O   -7.741800      0.4400000      -1.262000    
 O   -7.729300      0.4091000       1.266500    
 N   -2.145400      -2.685500     -1.4000000E-03
 N    7.428500      -2.717000      3.3000000E-03
 N    2.251900       5.791400      2.0999999E-03
 C    2.551700      0.1448000     -1.5000000E-03
 C    1.404500     -0.5538000     -3.0000000E-03
 C    3.833800     -0.6074000     -1.9999999E-04
 C    2.472800       1.629500     -5.0000002E-04
 C   0.1256000      0.1379000     -2.7000001E-03
 C    1.432300      -2.007500     -3.8999999E-03
 C    4.405800     -0.9450000       1.208300    
 C    2.439400       2.294500      -1.208000    
 C    4.409300     -0.9434000      -1.207700    
 C    2.435900       2.292800       1.207900    
 C   -1.026300      -2.033400     -3.0000000E-03
 C   -1.027800     -0.5430000     -2.7000001E-03
 C   0.2984000      -2.720500     -3.8999999E-03
 C    5.608900      -1.650900       1.209500    
 C    2.365500       3.687400      -1.207100    
 C    5.612300      -1.649400      -1.206600    
 C    2.361900       3.685800       1.208900    
 C    6.212100      -2.003300      2.0999999E-03
 C    2.326700       4.383100      1.3000000E-03
 C   -3.305700      -1.896700     -6.9999998E-04
 C   -5.608700     -0.3302000      8.9999998E-04
 C   -3.880000      -1.508000      -1.208200    
 C   -3.877200      -1.506200       1.207800    
 C   -5.033200     -0.7233000      -1.207500    
 C   -5.030600     -0.7216000       1.208600    
 H   4.8200000E-02   1.218800     -2.7000001E-03
 H    2.355700      -2.574400     -4.6999999E-03
 H    3.944900     -0.6763000       2.154700    
 H    2.468700       1.763200      -2.155100    
 H    3.951000     -0.6733000      -2.155000    
 H    2.462500       1.760100       2.154300    
 H   -1.932900      4.9699999E-02 -2.7999999E-03
 H   0.3097000      -3.804500     -4.4000000E-03
 H    6.066300      -1.920900       2.157800    
 H    2.338600       4.219300      -2.154700    
 H    6.072300      -1.918200      -2.154100    
 H    2.332200       4.216300       2.157200    
 H   -3.438700      -1.809300      -2.154600    
 H   -3.433500      -1.805900       2.153600    
 H   -5.461900     -0.4244000      -2.159800    
 H   -5.455900     -0.4213000       2.162000    
 H    7.865900      -2.973200     -0.8717000    
 H    7.863500      -2.974300      0.8792000    
 H    2.223100       6.296300      0.8780000    
 H    2.225700       6.297400     -0.8731000    
 H   -5.984000       2.460000     -0.7845000    


%chk=000111972-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111972

0 1
S -7.959361 -0.059248 0.009659
O -7.801690 1.117535 -1.439783
O -9.019366 -1.208640 -0.419553
O -8.215293 0.828688 1.341578
N -2.337401 -2.281886 -0.037086
N 7.553208 -2.816932 -0.744897
N 3.313706 5.910437 0.912460
C 2.760615 0.257950 0.034672
C 1.473235 -0.359442 0.009012
C 3.989127 -0.536212 -0.163903
C 2.900947 1.709798 0.260605
C 0.268333 0.389900 -0.307678
C 1.289449 -1.776995 0.281668
C 5.192801 -0.236952 0.547338
C 3.915193 2.472999 -0.398080
C 4.038764 -1.623273 -1.091866
C 2.043623 2.415071 1.162563
C -1.169525 -1.612227 -0.017454
C -0.984247 -0.196567 -0.334184
C 0.040852 -2.368398 0.276075
C 6.362975 -0.987518 0.369993
C 4.049720 3.853295 -0.197166
C 5.207161 -2.370211 -1.293869
C 2.178992 3.791465 1.388308
C 6.394484 -2.073393 -0.557607
C 3.181152 4.543577 0.702933
C -3.596430 -1.689074 -0.047476
C -6.228313 -0.705599 -0.016992
C -4.625792 -2.315492 -0.825427
C -3.953939 -0.565586 0.775303
C -5.938274 -1.819906 -0.830682
C -5.268632 -0.071546 0.794716
H 0.373830 1.439085 -0.605314
H 2.164841 -2.372729 0.561171
H 5.188686 0.581925 1.274941
H 4.582961 1.968565 -1.104817
H 3.149296 -1.850454 -1.689100
H 1.287244 1.853714 1.721326
H -1.853675 0.389358 -0.651426
H -0.089592 -3.426663 0.523813
H 7.260693 -0.746233 0.952116
H 4.821699 4.412275 -0.739869
H 5.215001 -3.182185 -2.030988
H 1.518827 4.294599 2.105059
H -4.356138 -3.191958 -1.421704
H -3.195062 -0.112545 1.421328
H -6.725156 -2.292824 -1.426411
H -5.553741 0.771727 1.431971
H 7.573006 -3.598494 -1.394260
H 8.400148 -2.604875 -0.224726
H 2.686919 6.405997 1.540622
H 4.027967 6.446780 0.427584
H -8.712429 1.504616 -1.594895


