%chk=000090903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090903

0 1
 S    1.520600      0.6822000       2.160000    
 S   -1.039800      -1.863300     -0.8432000    
 O   0.1873000      0.2466000       2.550100    
 O    2.544300      0.8140000       3.187500    
 O  -0.9455000      -3.282500     -0.5520000    
 O  -0.8460000      -1.378400      -2.198200    
 N    1.401900       2.227300       1.378100    
 N  -9.7300000E-02  -1.005100      0.1723000    
 N    5.297100      -1.551100     -0.2714000    
 N    6.428700      -1.666200     -0.3647000    
 C    2.119100     -0.3899000      0.9508000    
 C   0.3185000       2.386400      0.4410000    
 C   0.5612000       2.360500     -0.9266000    
 C    1.187100      -1.135900      6.3699998E-02
 C    1.938900       2.168900      -1.471200    
 C    3.445900     -0.5172000      0.8516000    
 C  -0.9688000       2.565700      0.9321000    
 C  -0.5008000       2.516200      -1.817600    
 C    1.797500      -2.036400     -0.9501000    
 C   -2.678100      -1.395400     -0.3590000    
 C    3.992100      -1.418400     -0.1637000    
 C    3.121000      -2.173600      -1.061900    
 C    2.670000       3.492500      -1.673400    
 C   -2.030500       2.721200      4.1000001E-02
 C   -1.796500       2.696600      -1.333800    
 C   -3.273600     -0.3072000     -0.9691000    
 C   -3.325900      -2.127900      0.6181000    
 C   -5.234700     -0.6637000      0.3958000    
 C   -4.563500      6.2100001E-02 -0.5881000    
 C   -4.615900      -1.758700      0.9989000    
 C   -6.614300     -0.2693000      0.8031000    
 H    2.296800       2.625300       1.066700    
 H    2.549800       1.523700     -0.8413000    
 H    1.881400       1.644200      -2.433900    
 H    4.151300      2.0199999E-02   1.474800    
 H   -1.163900       2.599100       2.000400    
 H  -0.3336000       2.501400      -2.891400    
 H    1.215500      -2.627300      -1.642400    
 H    3.561000      -2.832500      -1.801400    
 H    2.129900       4.139900      -2.372700    
 H    3.669200       3.312400      -2.082700    
 H    2.782700       4.037800     -0.7309000    
 H   -3.038300       2.868000      0.4181000    
 H   -2.622100       2.824800      -2.027700    
 H   -2.781300      0.2385000      -1.764200    
 H   -2.858400      -2.976800       1.107000    
 H   -5.037800      0.9125000      -1.070700    
 H   -5.127200      -2.329500       1.769600    
 H   -7.194000      -1.139300       1.129900    
 H   -7.158900      0.1826000     -3.2900002E-02
 H   -6.571200      0.4524000       1.624800    


%chk=000090903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090903

0 1
S 1.577113 1.116197 1.884218
S -0.730710 -1.261724 -1.743505
O 0.027237 0.945516 2.369484
O 2.725587 1.441031 2.996885
O -0.467379 -2.838569 -2.125859
O -0.734081 -0.189951 -2.965381
N 1.602163 2.805238 0.565202
N 0.397260 -0.501667 -0.409138
N 4.902354 -2.902992 1.791743
N 5.875887 -3.362218 2.271801
C 2.187962 -0.569637 1.144103
C 0.353215 3.022324 -0.032104
C 0.092375 2.811959 -1.438135
C 1.424094 -1.215442 0.075808
C 1.174760 2.334869 -2.388027
C 3.321406 -1.083492 1.720311
C -0.681703 3.515537 0.828171
C -1.192987 3.133030 -1.925240
C 1.918299 -2.542585 -0.323454
C -2.337398 -1.200198 -0.759998
C 3.789915 -2.369735 1.256529
C 3.054395 -3.087907 0.234092
C 2.054775 3.502886 -2.913829
C -1.953118 3.811029 0.312606
C -2.208871 3.621367 -1.069927
C -2.575666 -0.140922 0.132702
C -3.251405 -2.243168 -0.987708
C -4.774633 -1.157874 0.620801
C -3.808832 -0.135977 0.820277
C -4.478067 -2.206634 -0.289626
C -6.081528 -1.148008 1.392324
H 2.322204 2.496125 -0.122201
H 1.817193 1.576458 -1.897809
H 0.698575 1.808060 -3.231997
H 3.824994 -0.523716 2.518716
H -0.446564 3.661904 1.886001
H -1.408694 2.969917 -2.986715
H 1.358156 -3.084786 -1.092959
H 3.413659 -4.069967 -0.090490
H 1.439811 4.242307 -3.457614
H 2.827405 3.124820 -3.607670
H 2.562527 4.037655 -2.089297
H -2.738666 4.192416 0.973289
H -3.200157 3.846108 -1.479164
H -1.826418 0.632530 0.319047
H -3.004231 -3.057756 -1.675900
H -4.011980 0.673223 1.530855
H -5.210759 -3.005148 -0.453907
H -6.873192 -1.702154 0.859207
H -6.440286 -0.118908 1.568629
H -5.955093 -1.623972 2.384055


