%chk=000122410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122410

0 1
 S   -3.719200      0.7971000      0.9263000    
 O   0.6511000     -0.7387000      -1.948800    
 N    3.731900     -0.6226000      0.8609000    
 N  -0.9103000     -0.1054000     -0.3243000    
 C    5.078300     -0.3466000      0.3791000    
 C    2.749800     -0.4256000     -0.1975000    
 C    1.364400     -0.7308000      0.3338000    
 C    6.065400     -0.5792000       1.527800    
 C    5.386700      -1.300000     -0.7803000    
 C    5.159400       1.107900     -9.8899998E-02
 C   0.3577000     -0.5093000     -0.7752000    
 C   -1.195300       1.303700     -0.1783000    
 C   -1.932700      -1.102200     -0.1071000    
 C   -2.388200       1.806600      0.3569000    
 C   -3.207300     -0.8096000      0.3989000    
 C  -0.2479000       2.251900     -0.6328000    
 C   -1.649200      -2.462900     -0.3724000    
 C   -2.590200       3.198000      0.4677000    
 C   -4.160200      -1.834500      0.5746000    
 C  -0.4561000       3.629100     -0.5234000    
 C   -2.598200      -3.473600     -0.1942000    
 C   -1.628900       4.104300      3.5100002E-02
 C   -3.861200      -3.157600      0.2723000    
 H    3.510200     -1.7200001E-02   1.651100    
 H    2.927700      -1.097100      -1.042400    
 H    2.739400      0.6021000     -0.5728000    
 H    1.286600      -1.773200      0.6634000    
 H    1.122500     -8.8500001E-02   1.188700    
 H    6.014900      -1.611300       1.894700    
 H    7.096900     -0.3936000       1.207300    
 H    5.858900      8.6499996E-02   2.374200    
 H    4.882300      -1.033700      -1.715100    
 H    5.137200      -2.338600     -0.5315000    
 H    6.460000      -1.280300      -1.008200    
 H    4.759000       1.804200      0.6476000    
 H    6.206100       1.391700     -0.2667000    
 H    4.646800       1.286300      -1.049900    
 H   0.6894000       1.938800      -1.086800    
 H  -0.6765000      -2.774700     -0.7460000    
 H   -3.511600       3.594100      0.8920000    
 H   -5.152100      -1.611100      0.9645000    
 H   0.3011000       4.322300     -0.8776000    
 H   -2.342300      -4.503900     -0.4235000    
 H   -1.801900       5.171900      0.1259000    
 H   -4.605600      -3.934400      0.4150000    


%chk=000122410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122410

0 1
S -3.252467 0.166579 1.832124
O 0.465211 -2.445229 -0.156823
N 3.859647 0.105905 0.818062
N -0.910947 -0.561442 0.044907
C 5.247364 0.021990 0.255870
C 2.743690 -0.461568 0.038038
C 1.471809 -0.518780 0.919027
C 6.161177 0.772804 1.255133
C 5.682007 -1.463618 0.183944
C 5.368513 0.676215 -1.154215
C 0.327186 -1.243853 0.212472
C -1.061915 0.863972 0.222012
C -2.113218 -1.300378 -0.293578
C -2.115101 1.361049 1.030842
C -3.292607 -1.052186 0.452975
C -0.213694 1.779948 -0.447493
C -2.143558 -2.246624 -1.344981
C -2.281725 2.749898 1.219675
C -4.487476 -1.745622 0.168176
C -0.363702 3.167891 -0.242853
C -3.332731 -2.957212 -1.616316
C -1.392097 3.654524 0.598524
C -4.502968 -2.712448 -0.861728
H 3.652296 1.070989 1.115760
H 2.995394 -1.493290 -0.260508
H 2.516007 0.101012 -0.902919
H 1.719374 -1.124842 1.810395
H 1.190352 0.487769 1.268801
H 6.093465 0.309683 2.255206
H 7.213661 0.745691 0.920950
H 5.862459 1.836109 1.345036
H 5.101961 -2.028827 -0.568025
H 5.538251 -1.946448 1.166234
H 6.748705 -1.536647 -0.096201
H 5.095402 1.748467 -1.115119
H 6.403978 0.601660 -1.535612
H 4.705586 0.176430 -1.884401
H 0.560788 1.395918 -1.120176
H -1.234321 -2.439958 -1.915990
H -3.105346 3.117411 1.840396
H -5.392884 -1.529124 0.744339
H 0.307607 3.866831 -0.752650
H -3.343454 -3.700703 -2.420109
H -1.517036 4.731349 0.752444
H -5.425844 -3.260995 -1.077547


