%chk=000160577.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160577

0 1
 S    2.357400       2.351200      0.5602000    
 O    1.098300      -1.645200      -1.453800    
 O    6.743300      0.7630000       1.111200    
 O   -1.680500     -0.2072000      -1.758400    
 O    4.179900      -2.320700      -1.106300    
 O    3.841800      -2.573800       1.141400    
 O   -6.048600      -1.316400       2.130300    
 O   -6.786100      -1.809200      4.3900002E-02
 N    2.585400     -1.3400000E-02 -0.6254000    
 N  -0.2273000       1.236200     -0.6700000    
 N   -6.907000      0.8006000     -0.6905000    
 C    2.347900       1.378400     -0.9628000    
 C   0.9652000      0.9182000      -1.474800    
 C    1.501400     -0.5242000      -1.248600    
 C    3.644300     -0.4420000      0.1088000    
 C    4.400500      0.4203000      0.8292000    
 C    4.080900       1.907300      0.9644000    
 C   -1.459600      0.6336000     -0.8907000    
 C   -2.524000       1.159800      5.7599999E-02
 C    5.638300      3.4400001E-02   1.602900    
 C    3.892800      -1.890900      0.1383000    
 C   -3.899100      0.5233000     -0.1497000    
 C   -4.945100       1.074000      0.8323000    
 C   -6.365900      0.5210000      0.6394000    
 C   -6.434000     -0.9782000      0.8712000    
 H    3.014200       1.745700      -1.752400    
 H   0.7997000       1.151000      -2.533300    
 H  -0.1586000       1.926700      7.4000001E-02
 H    4.752100       2.487700      0.3221000    
 H    4.244000       2.230100       1.998200    
 H   -2.594500       2.245400     -8.1400000E-02
 H   -2.183300      0.9758000       1.083700    
 H    5.503400      0.2638000       2.665600    
 H    5.881200      -1.027700       1.520100    
 H   -3.815600     -0.5639000     -3.2400001E-02
 H   -4.221700      0.7036000      -1.182100    
 H   -4.608800      0.8671000       1.856200    
 H   -4.978800       2.167300      0.7358000    
 H   -7.032400      0.9894000       1.373800    
 H    7.514800      0.5157000       1.648900    
 H    4.353300      -3.285800      -1.132800    
 H   -7.888900      0.5284000     -0.7256000    
 H   -6.883600       1.804700     -0.8636000    
 H   -6.090600      -2.285400       2.277100    


%chk=000160577-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160577

0 1
S 1.685988 1.723261 0.273626
O 2.028718 -2.647836 1.140494
O 6.074356 2.802491 0.139625
O -1.934018 -1.335924 -1.210753
O 4.738236 -2.655904 -0.234869
O 6.255725 -1.346568 0.943754
O -7.257484 -0.516863 -0.710349
O -6.863364 1.424031 -1.919752
N 2.841441 -0.753578 -0.186434
N -0.426038 -0.611483 0.403578
N -5.857563 2.735655 0.287771
C 1.800277 0.129626 -0.747614
C 0.729645 -0.967057 -0.379913
C 1.910155 -1.697822 0.354679
C 4.161498 -0.371074 0.146235
C 4.509248 0.961854 0.258243
C 3.532737 2.106651 0.059041
C -1.722745 -0.841384 -0.064325
C -2.845434 -0.475239 0.905707
C 5.931478 1.401347 0.572177
C 5.151994 -1.460758 0.349117
C -3.998716 0.274913 0.199331
C -5.226046 0.438745 1.115210
C -6.325891 1.364857 0.500477
C -6.824466 0.805562 -0.832677
H 1.934427 0.386154 -1.808496
H 0.364909 -1.507541 -1.271664
H -0.288996 -0.202653 1.329889
H 3.675287 2.550022 -0.941658
H 3.754552 2.910160 0.779694
H -2.459019 0.121195 1.755209
H -3.233745 -1.424772 1.327754
H 6.108163 1.305190 1.665685
H 6.668443 0.746070 0.071560
H -4.267374 -0.291136 -0.712412
H -3.659209 1.277273 -0.122429
H -5.674883 -0.547625 1.341769
H -4.923228 0.899326 2.076588
H -7.202775 1.317066 1.187307
H 6.960259 3.138490 0.421316
H 5.388468 -3.374472 -0.011142
H -6.023598 3.106376 -0.651051
H -6.023768 3.390826 1.050159
H -7.561547 -0.847752 -1.598456


