%chk=000155515.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155515

0 1
 S   -1.253900      -1.354700      0.6927000    
 O   -1.537400      -2.778300      0.5546000    
 O  -0.6559000     -0.8749000       1.932700    
 O    5.824000      0.3276000      0.6210000    
 O    5.055500       2.378800      0.4755000    
 N  -0.2781000     -0.8716000     -0.6426000    
 N    4.883600       1.136700      0.4322000    
 C    1.037700     -0.3596000     -0.3692000    
 C    2.092700      -1.242500     -0.1583000    
 C    1.248000       1.015400     -0.3167000    
 C    1.892400      -2.722200     -0.2119000    
 C   0.1302000       1.981600     -0.5407000    
 C    3.369100     -0.7463000      0.1074000    
 C    2.524300       1.511700     -5.1199999E-02
 C    3.584800      0.6308000      0.1609000    
 C   -2.743400     -0.4864000      0.4179000    
 C    2.098400      -3.282800      -1.615700    
 C  -1.7500000E-02   2.363800      -2.010000    
 C   -3.761500      -1.068900     -0.3371000    
 C   -2.915500      0.7898000      0.9537000    
 C   -5.123600      0.9011000     -2.0400001E-02
 C   -4.951600     -0.3751000     -0.5563000    
 C   -4.105600       1.483600      0.7347000    
 C   -6.396400       1.642500     -0.2535000    
 H  -0.2777000      -1.543700      -1.421600    
 H    2.610900      -3.207200      0.4627000    
 H   0.9203000      -3.030600      0.1717000    
 H  -0.8139000       1.585900     -0.1857000    
 H   0.3007000       2.889800      5.1500000E-02
 H    4.183000      -1.449900      0.2670000    
 H    2.670800       2.588900     -1.6300000E-02
 H    1.383200      -2.858200      -2.327300    
 H    1.966200      -4.369500      -1.610400    
 H    3.106900      -3.067000      -1.984600    
 H  -0.2344000       1.487000      -2.629400    
 H  -0.8382000       3.077600      -2.133500    
 H   0.8973000       2.828500      -2.393000    
 H   -3.647100      -2.058700     -0.7699000    
 H   -2.148200       1.255200       1.565800    
 H   -5.737600     -0.8395000      -1.145900    
 H   -4.230600       2.474400       1.163400    
 H   -6.225000       2.724100     -0.2772000    
 H   -6.843200       1.368100      -1.215200    
 H   -7.113000       1.418200      0.5428000    


%chk=000155515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155515

0 1
S -1.332729 -1.244747 0.856902
O -1.618428 -2.853456 0.759080
O -0.669513 -0.551722 2.172907
O 6.029041 0.344935 0.593615
O 5.168500 2.457779 0.567247
N -0.119953 -0.891228 -0.764788
N 5.046734 1.175074 0.460392
C 1.168251 -0.413744 -0.403930
C 2.277150 -1.313522 -0.204620
C 1.340953 1.008186 -0.288472
C 2.103614 -2.822816 -0.295003
C 0.195399 1.970625 -0.546440
C 3.548586 -0.773547 0.064467
C 2.622776 1.513740 0.000938
C 3.704572 0.624462 0.163404
C -2.936073 -0.341612 0.477768
C 2.156180 -3.349737 -1.757454
C 0.011210 2.247825 -2.063670
C -3.855778 -0.950555 -0.390651
C -3.164233 0.890342 1.111216
C -5.347417 0.984212 -0.036120
C -5.066147 -0.268921 -0.643795
C -4.384282 1.547802 0.842863
C -6.666419 1.688506 -0.292731
H -0.089052 -1.883967 -1.075705
H 2.912558 -3.307465 0.280206
H 1.156148 -3.140260 0.182652
H -0.750322 1.568220 -0.148338
H 0.394184 2.921758 -0.018436
H 4.416985 -1.419480 0.221892
H 2.798352 2.589384 0.091394
H 1.357891 -2.913874 -2.387558
H 2.039206 -4.447669 -1.775637
H 3.121825 -3.096925 -2.230181
H -0.231704 1.311799 -2.595233
H -0.814249 2.964086 -2.226853
H 0.929687 2.674145 -2.505843
H -3.645683 -1.928021 -0.835694
H -2.425669 1.303811 1.805931
H -5.802366 -0.719294 -1.319108
H -4.591197 2.508811 1.327213
H -6.564437 2.784497 -0.213424
H -7.065947 1.450953 -1.293623
H -7.427503 1.375109 0.447821


