%chk=000226302.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226302

0 1
 S  -0.4426000       2.968500     -0.6905000    
 O    4.360400     -0.8591000     -0.2869000    
 N   -3.723500      0.5281000     -0.2450000    
 N    3.075500       1.073700      0.1290000    
 N   -1.305300      -3.643000     -0.2469000    
 C   -2.906100       1.738700     -0.3185000    
 C   -1.431400       1.447600     -0.5608000    
 C   -5.130900      0.8464000     -0.4836000    
 C   -3.559500     -0.1214000       1.054900    
 C    1.803900       1.714100      0.3311000    
 C    1.172300       2.205400     -0.9643000    
 C    4.258600       1.938400      0.1790000    
 C   -5.675700       1.781100      0.5767000    
 C   -4.349500      -1.411300       1.134200    
 C    3.276700     -0.3033000     -0.1120000    
 C    2.087600      -1.169200     -0.1471000    
 C    4.813700       2.038600       1.584900    
 C    1.418500      -1.387200      -1.351500    
 C    1.629500      -1.772600       1.024200    
 C   0.2916000      -2.208300      -1.384700    
 C   0.5025000      -2.593800      0.9911000    
 C  -0.1664000      -2.811600     -0.2133000    
 H   -3.251200       2.359400      -1.157200    
 H   -3.006200       2.348800      0.5890000    
 H   -1.316100      0.8791000      -1.490400    
 H   -1.021900      0.8492000      0.2559000    
 H    1.136000       1.012300      0.8373000    
 H    1.942500       2.549900       1.028600    
 H   -5.234000       1.320900      -1.468300    
 H   -5.747200     -5.6100000E-02 -0.5555000    
 H   -2.508600     -0.4082000       1.179000    
 H   -3.789300      0.5242000       1.910000    
 H    1.082000       1.409500      -1.708200    
 H    1.818700       2.966800      -1.415100    
 H    3.997700       2.929700     -0.2073000    
 H    5.030400       1.526500     -0.4808000    
 H   -6.709800       2.037600      0.3155000    
 H   -5.140300       2.732300      0.6416000    
 H   -5.724600       1.330600       1.571900    
 H   -4.026200      -1.987000       2.009000    
 H   -4.185600      -2.042300      0.2537000    
 H   -5.423900      -1.240800       1.250900    
 H    4.076700       2.464000       2.273700    
 H    5.096700       1.053000       1.969200    
 H    5.701600       2.678000       1.599400    
 H    1.769700     -0.9269000      -2.271300    
 H    2.143100      -1.608600       1.968000    
 H  -0.2208000      -2.370500      -2.329400    
 H   0.1549000      -3.057600       1.910700    
 H   -1.645100      -4.070500      0.6043000    
 H   -1.796900      -3.792900      -1.117800    


%chk=000226302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226302

0 1
S -0.294763 3.060287 -2.084676
O 3.827185 -0.578841 1.353544
N -3.495481 0.983194 -0.310328
N 2.653618 1.022736 0.141501
N -1.224533 -4.351290 0.070254
C -2.403730 1.972449 -0.465128
C -1.669107 1.773523 -1.809068
C -4.736022 1.524712 0.298103
C -3.028847 -0.317334 0.233956
C 1.366700 1.666278 -0.210672
C 1.249404 2.035470 -1.705002
C 3.822175 1.931301 0.291570
C -4.651866 1.913348 1.800528
C -4.031890 -1.466442 0.020277
C 2.777731 -0.257948 0.699141
C 1.673447 -1.257377 0.503773
C 3.871960 2.632620 1.666757
C 1.011068 -1.469635 -0.733779
C 1.371393 -2.134970 1.579480
C 0.062011 -2.496548 -0.889636
C 0.409582 -3.148936 1.447617
C -0.267937 -3.346134 0.207019
H -2.836597 2.989931 -0.452044
H -1.665160 1.935605 0.370902
H -2.376981 1.886627 -2.645877
H -1.205927 0.773891 -1.881864
H 0.541626 0.995991 0.079495
H 1.254879 2.595071 0.384320
H -5.031050 2.414147 -0.291132
H -5.543786 0.782315 0.158383
H -2.087522 -0.576714 -0.284336
H -2.771391 -0.247813 1.320923
H 1.241931 1.142375 -2.352394
H 2.084804 2.682401 -2.024222
H 3.780054 2.677267 -0.523788
H 4.732952 1.323982 0.159254
H -5.618892 2.328256 2.141440
H -3.874589 2.680210 1.974354
H -4.418178 1.039591 2.435853
H -3.572878 -2.424212 0.327963
H -4.313672 -1.532383 -1.046167
H -4.955151 -1.330147 0.612132
H 2.961919 3.231874 1.854478
H 3.976197 1.880305 2.465684
H 4.740700 3.314668 1.714345
H 1.272918 -0.855472 -1.602107
H 1.919076 -2.012259 2.519794
H -0.416993 -2.655725 -1.863621
H 0.184419 -3.804349 2.297887
H -1.418966 -4.990347 0.835900
H -1.673639 -4.525351 -0.824387


