%chk=000132059.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132059

0 1
 S    5.337400      -2.324000      -1.210100    
 O  -0.5648000       2.911400     -0.7119000    
 O    6.427500      -3.269800      -1.361300    
 O    3.988100      -2.789000     -0.9565000    
 N   -5.912700     -0.3330000      -1.555500    
 N  -0.3450000       1.560700       1.061200    
 N   -3.888200      -4.245000       2.288500    
 N   0.6372000       3.275100     -9.1700003E-02
 N    5.805400      -1.133900     -5.6499999E-02
 C   -4.159000     -0.2054000     -0.1824000    
 C   -5.029600      -1.236200      0.2697000    
 C   -4.736200      0.3451000      -1.328800    
 C   -4.830900      -2.099600       1.451300    
 C   -2.931500      0.3136000      0.2749000    
 C   -6.098700      -1.290500     -0.5947000    
 C   -2.328400       1.361800     -0.4299000    
 C   -4.144900       1.393000      -2.043500    
 C   -4.052200      -3.387200       1.119700    
 C   -2.927500       1.891600      -1.570900    
 C   -1.071200       1.899300      3.3300001E-02
 C    1.813500       2.449800       1.896000    
 C    2.875500       1.497300       1.376700    
 C   0.6971000       2.433800      0.9449000    
 C    4.806800     -0.2377000      0.4311000    
 C    3.856100       1.981100      0.5321000    
 C    2.832600      0.1712000       1.762200    
 C    4.831200       1.105300      5.4800000E-02
 C    3.807700     -0.7047000       1.284900    
 C    5.304700      -1.333800      -2.687500    
 H   -4.303300      -1.543400       2.236800    
 H   -5.807600      -2.367700       1.875900    
 H   -2.468400     -0.1048000       1.164800    
 H   -6.974600      -1.923900     -0.6146000    
 H   -6.546700     -0.1499000      -2.321000    
 H   -4.611000       1.805700      -2.931800    
 H   -3.063300      -3.133000      0.7200000    
 H   -4.578500      -3.951100      0.3410000    
 H   -2.474300       2.706100      -2.131800    
 H    1.481500       2.139800       2.894200    
 H    2.229800       3.457900       2.012200    
 H    3.882800       3.024900      0.2338000    
 H    2.059400     -0.2007000       2.428000    
 H   -3.374800      -3.742700       3.011500    
 H   -3.316700      -5.051000       2.038800    
 H    5.604400       1.480200     -0.6109000    
 H    3.782500      -1.745300       1.597600    
 H    6.715100     -0.6874000     -0.2349000    
 H    6.284600     -0.8743000      -2.830100    
 H    5.081400      -1.994000      -3.528800    
 H    4.523300     -0.5774000      -2.598700    


%chk=000132059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132059

0 1
S 4.453103 -2.992939 -0.640673
O -0.932626 3.710151 -0.548930
O 5.730477 -3.836388 -1.181543
O 3.269976 -3.678328 0.227768
N -5.898100 -0.398520 -1.284272
N -0.276952 2.053276 0.870624
N -2.024274 -4.272003 1.194243
N 0.379403 4.112596 0.009142
N 5.223006 -1.597492 0.440884
C -3.896759 -0.189187 -0.212738
C -4.446103 -1.499361 0.110324
C -4.831068 0.475148 -1.091012
C -3.809420 -2.561196 0.971374
C -2.712591 0.482702 0.159764
C -5.663938 -1.584566 -0.561003
C -2.471101 1.783568 -0.348447
C -4.598548 1.774250 -1.600347
C -2.576720 -3.232884 0.305184
C -3.411234 2.420910 -1.225686
C -1.237614 2.458157 0.027381
C 1.958087 3.047452 1.623125
C 2.822423 1.830682 1.298815
C 0.678405 3.076689 0.826459
C 4.421220 -0.449581 0.689329
C 4.041773 1.973517 0.592602
C 2.415088 0.529124 1.698337
C 4.824728 0.846800 0.263874
C 3.206349 -0.598683 1.417919
C 3.602572 -2.128217 -2.139853
H -3.487517 -2.120246 1.938016
H -4.534016 -3.358819 1.214552
H -1.975862 0.024979 0.827363
H -6.384828 -2.400073 -0.576640
H -6.721237 -0.209806 -1.852227
H -5.314456 2.267663 -2.266130
H -1.844974 -2.439341 0.018607
H -2.902780 -3.717668 -0.633748
H -3.190488 3.424997 -1.600094
H 1.689648 3.039321 2.696925
H 2.509456 3.982273 1.426706
H 4.372624 2.969884 0.276773
H 1.468382 0.408268 2.234417
H -1.655859 -3.907467 2.079256
H -1.355976 -4.903817 0.742595
H 5.755800 0.971836 -0.303549
H 2.910961 -1.596073 1.757711
H 6.148978 -1.420967 0.013757
H 4.405028 -1.664494 -2.729337
H 3.097665 -2.939505 -2.682275
H 2.895487 -1.398326 -1.723219


