%chk=000167129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167129

0 1
 S    3.345800      0.5504000      0.2370000    
 S   -3.346900     -0.5565000      0.2255000    
 O    3.405000       1.295700      -1.008600    
 O    3.417800       1.232700       1.517600    
 O   -3.399500      -1.268100      -1.040000    
 O   -3.425100      -1.273300       1.486800    
 N    4.528200     -0.6776000      0.2004000    
 N   -4.529400      0.6717000      0.2161000    
 C    4.944800      -1.084200      -1.138000    
 C    5.840600     -0.2475000     -0.2720000    
 C   -4.939500       1.114100      -1.112900    
 C   -5.839300      0.2543000     -0.2743000    
 C    1.883600     -0.4375000      0.2197000    
 C   -1.885000      0.4316000      0.2421000    
 C   0.6316000      0.4255000      0.2476000    
 C  -0.6327000     -0.4314000      0.2531000    
 H    4.436700     -0.6356000      -1.975800    
 H    5.139000      -2.145200      -1.200800    
 H    6.646600     -0.7337000      0.2570000    
 H    5.946100      0.8068000     -0.4759000    
 H   -4.427200      0.6884000      -1.960000    
 H   -5.133800       2.176400      -1.148000    
 H   -6.648000      0.7259000      0.2635000    
 H   -5.943400     -0.7940000     -0.5072000    
 H    1.917900      -1.092700       1.096100    
 H    1.904800      -1.050000     -0.6874000    
 H   -1.902900       1.067100     -0.6492000    
 H   -1.922900       1.064400       1.134800    
 H   0.6411000       1.070300       1.134800    
 H   0.6216000       1.091600     -0.6238000    
 H  -0.6340000      -1.080400       1.137300    
 H  -0.6308000      -1.093300     -0.6217000    


%chk=000167129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167129

0 1
S 3.490679 0.433206 -0.143324
S -3.489780 -0.428761 -0.155098
O 3.615080 1.265321 -1.543223
O 3.616885 1.227521 1.278239
O -3.614672 -1.228427 -1.573767
O -3.614821 -1.255670 1.247829
N 4.744110 -1.087868 -0.164305
N -4.743816 1.091749 -0.140260
C 6.021135 -0.684923 -0.914538
C 6.021383 -0.704900 0.595891
C -6.020172 0.706003 -0.900690
C -6.021442 0.690472 0.609793
C 1.851723 -0.571335 -0.155369
C -1.851038 0.576178 -0.145528
C 0.667991 0.398769 -0.146486
C -0.667222 -0.393848 -0.153564
H 6.007770 0.283372 -1.430563
H 6.458644 -1.510834 -1.483186
H 6.459335 -1.545340 1.142464
H 6.007873 0.249549 1.137116
H -6.005747 -0.250025 -1.439096
H -6.457785 1.544731 -1.450150
H -6.460005 1.517781 1.175589
H -6.008111 -0.276300 1.128670
H 1.931548 -1.198894 0.746171
H 1.933155 -1.180551 -1.069252
H -1.931368 1.202473 -1.047894
H -1.932098 1.186621 0.767576
H 0.723006 1.041448 0.752713
H 0.722970 1.057842 -1.033702
H -0.722360 -1.052343 0.734086
H -0.722050 -1.037116 -1.052342


