%chk=000226303.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226303

0 1
 S    4.537400       2.758200     -0.4283000    
 O   0.9208000     -0.3171000      0.9487000    
 N    6.067600     -0.9973000      1.1100000E-02
 N   -5.283100     -0.4157000     -0.4136000    
 N   0.6126000       1.911300      0.3865000    
 C    5.522500      0.1777000     -0.6134000    
 C    5.146300      -1.544700       1.019000    
 C    6.380600      -2.035800     -0.9830000    
 C    5.181000       1.277400      0.3828000    
 C   -7.673500      5.2000000E-03 -0.7011000    
 C    5.762000      -2.733500       1.737400    
 C    7.331800      -1.510500      -2.044900    
 C   -6.317700      0.5845000     -0.3063000    
 C    2.827300       2.194000     -0.6829000    
 C   -8.113200      -1.142600      0.2114000    
 C    1.984400       2.323800      0.5785000    
 C   -3.941900     -0.1654000     -0.1684000    
 C   -1.243200      0.3382000      0.3276000    
 C   -9.494700      -1.654000     -0.1662000    
 C   -3.006100      -1.191900     -0.2956000    
 C   -3.528500       1.112900      0.2069000    
 C   0.1635000      0.6008000      0.5866000    
 C   -1.656700     -0.9401000     -4.7699999E-02
 C   -2.179200       1.364700      0.4550000    
 H    4.638800     -8.4899999E-02  -1.208500    
 H    6.252800      0.6164000      -1.303000    
 H    4.953800     -0.8155000       1.810400    
 H    4.180100      -1.826200      0.5819000    
 H    6.899800      -2.876300     -0.5114000    
 H    5.474500      -2.427800      -1.462000    
 H    4.448200      0.9766000       1.131000    
 H    6.086600       1.572700      0.9254000    
 H   -8.421600      0.8066000     -0.6654000    
 H   -7.634500     -0.3504000      -1.738600    
 H   -6.375500      0.9676000      0.7196000    
 H   -6.102400       1.426100     -0.9756000    
 H    5.172000      -2.967500       2.631100    
 H    6.784800      -2.523600       2.068800    
 H    5.764700      -3.639000       1.122900    
 H    7.725100      -2.349200      -2.630500    
 H    8.190000     -0.9927000      -1.602800    
 H    6.837100     -0.8416000      -2.756000    
 H    2.806900       1.170000      -1.067100    
 H    2.393100       2.822000      -1.469300    
 H   -8.130600     -0.8013000       1.253100    
 H   -7.406900      -1.977800      0.1565000    
 H    2.399700       1.731400       1.399700    
 H    1.948300       3.368800      0.9072000    
 H   -5.525700      -1.339300     -0.7549000    
 H  -2.0000000E-02   2.616200      2.3499999E-02
 H   -9.505600      -2.031700      -1.193600    
 H   -9.791700      -2.470700      0.4992000    
 H   -10.24350     -0.8597000     -8.3600000E-02
 H   -3.314500      -2.192500     -0.5879000    
 H   -4.224200       1.938200      0.3262000    
 H  -0.9429000      -1.752400     -0.1567000    
 H   -1.905100       2.365500      0.7756000    


%chk=000226303-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226303

0 1
S 4.868051 2.924510 -0.442031
O 1.357855 0.192789 0.470240
N 5.457592 -1.232180 -0.305250
N -5.043950 -0.458398 -0.317401
N 0.793594 2.439621 0.367329
C 5.365360 0.128117 -0.889871
C 4.122813 -1.848041 -0.057027
C 6.401657 -2.131328 -1.015556
C 5.201593 1.176214 0.227792
C -7.523160 -0.342041 -0.447010
C 4.133494 -2.842348 1.119896
C 7.879456 -1.785931 -0.747314
C -6.213170 0.409236 -0.134572
C 3.010623 2.752666 -0.761142
C -7.844949 -1.501661 0.527520
C 2.193505 2.862026 0.546334
C -3.728629 -0.051256 -0.141492
C -0.992117 0.750367 0.193291
C -9.196940 -2.175583 0.209799
C -2.657022 -0.977228 -0.350282
C -3.400178 1.281586 0.256139
C 0.454652 1.090785 0.354374
C -1.325562 -0.581670 -0.179506
C -2.055932 1.664310 0.416012
H 4.520600 0.213228 -1.615152
H 6.287222 0.351776 -1.455863
H 3.398473 -1.045139 0.168246
H 3.743682 -2.358296 -0.978948
H 6.211677 -3.160157 -0.658528
H 6.210636 -2.140450 -2.119628
H 4.369275 0.906653 0.898392
H 6.121551 1.252843 0.829765
H -8.353001 0.390471 -0.413433
H -7.488171 -0.725641 -1.487934
H -6.248586 0.789689 0.909883
H -6.129663 1.296007 -0.798994
H 3.119609 -3.254222 1.280485
H 4.454787 -2.329748 2.043461
H 4.820747 -3.691453 0.945171
H 8.546239 -2.490722 -1.279343
H 8.090868 -1.843594 0.334759
H 8.131046 -0.765138 -1.088828
H 2.834039 1.773267 -1.233547
H 2.751784 3.549128 -1.479439
H -7.856079 -1.108419 1.563856
H -7.041582 -2.265253 0.499128
H 2.645388 2.206666 1.310294
H 2.214328 3.897524 0.928997
H -5.212001 -1.425957 -0.591501
H 0.090190 3.140246 0.134724
H -9.200352 -2.600904 -0.811547
H -9.413797 -2.995668 0.917776
H -10.027131 -1.447078 0.272021
H -2.887924 -2.008833 -0.645400
H -4.193765 2.008438 0.452051
H -0.505212 -1.292141 -0.325789
H -1.851909 2.686414 0.759896


