%chk=000058912.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058912

0 1
 S    1.967700       2.204500      0.4835000    
 O   -2.818600       1.045400      0.5797000    
 N  -0.6062000      0.4819000      0.5994000    
 N   -2.228700     -0.8500000     -0.5470000    
 C   -3.984100      0.6727000     -0.1382000    
 C   -3.686900     -0.7239000     -0.6243000    
 C   0.5937000     -0.2218000      0.3473000    
 C   -1.860700      0.1619000      0.1761000    
 C    1.822800      0.4332000      0.2697000    
 C   0.5282000      -1.604400      0.1743000    
 C    2.986300     -0.2946000      1.9500000E-02
 C    1.691700      -2.332000     -7.5999998E-02
 C    2.920600      -1.677100     -0.1535000    
 C    2.674100       2.704200      -1.110300    
 H   -4.128600       1.375600     -0.9654000    
 H   -4.861200      0.7064000      0.5142000    
 H   -4.150100      -1.476200      2.3499999E-02
 H   -4.051100     -0.8814000      -1.644000    
 H  -0.4725000       1.387300       1.040400    
 H  -0.3940000      -2.166300      0.2752000    
 H    3.958500      0.1888000     -3.5900000E-02
 H    1.642900      -3.410000     -0.1987000    
 H    3.827000      -2.244600     -0.3435000    
 H    2.050700       2.343700      -1.933100    
 H    3.689400       2.316500      -1.225800    
 H    2.714600       3.795700      -1.156300    


%chk=000058912-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058912

0 1
S 2.135238 2.134811 0.697661
O -2.605152 1.346592 0.114899
N -0.421939 0.566544 0.185989
N -2.268413 -0.932800 -0.340370
C -3.979728 0.802154 -0.119510
C -3.741299 -0.709442 -0.472522
C 0.712900 -0.270114 0.131337
C -1.736818 0.223290 -0.030090
C 1.996454 0.319873 0.355695
C 0.626192 -1.664817 -0.130613
C 3.156643 -0.480763 0.342054
C 1.799442 -2.446248 -0.152888
C 3.067687 -1.868626 0.086750
C 2.277173 2.773576 -1.085454
H -4.428723 1.383023 -0.941292
H -4.556500 0.949441 0.808647
H -4.282428 -1.383057 0.215387
H -4.060722 -0.947944 -1.503297
H -0.236623 1.538750 0.468274
H -0.360810 -2.100669 -0.308428
H 4.125948 -0.009136 0.534731
H 1.717822 -3.520319 -0.354894
H 3.973118 -2.484013 0.077132
H 1.399236 2.458248 -1.669238
H 3.200563 2.384890 -1.539193
H 2.316240 3.872253 -1.019967


