%chk=000173994.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173994

1 1
 S   -3.638500      0.8927000       1.605900    
 O    1.575400     -8.8200003E-02 -2.5800001E-02
 N    3.168400       1.558600      0.1873000    
 N   -2.957100     -0.5213000     -0.3503000    
 C    3.804200      0.3260000      0.1852000    
 C    1.809500       1.306200      5.9500001E-02
 C    2.827400     -0.6717000      5.4699998E-02
 C    3.881900       2.805200      0.3086000    
 C    5.135000     -2.2600001E-02  0.2838000    
 C  -0.6441000       1.835100     -0.1252000    
 C    5.462200      -1.383900      0.2488000    
 C   0.7790000       2.157700      1.1400000E-02
 C   -2.470100      0.3304000      0.5081000    
 C    4.464500      -2.370000      0.1170000    
 C    3.118700      -2.016500      1.7500000E-02
 C   -4.299100     -0.7828000     -0.1896000    
 C   -1.114200      0.7675000      0.5577000    
 C   -2.160100      -1.143200      -1.387000    
 C   -4.861700     -7.6700002E-02  0.8664000    
 C   -1.496800       2.686500      -1.051300    
 C    4.307400       3.328800      -1.052700    
 C    6.901800      -1.774900      0.3548000    
 C    4.830200      -3.819100      8.1799999E-02
 C   -5.074500      -1.653400     -0.9684000    
 C   -6.219800     -0.2113000       1.186600    
 C   -1.544000      -2.442700     -0.9051000    
 C   -2.164100       3.855200     -0.3349000    
 C   -6.429700      -1.790700     -0.6527000    
 C   -6.992000      -1.080700      0.4079000    
 H    3.245000       3.556200      0.7915000    
 H    4.757400       2.703800      0.9608000    
 H    5.906900      0.7331000      0.3822000    
 H   0.9842000       3.225900      5.2800000E-02
 H    2.332200      -2.755300     -8.4500000E-02
 H  -0.4815000      0.2067000       1.239900    
 H   -2.765200      -1.318400      -2.282600    
 H   -1.366900     -0.4664000      -1.723300    
 H  -0.8730000       3.072100      -1.867900    
 H   -2.268300       2.079900      -1.539900    
 H    4.981000       2.627400      -1.555800    
 H    3.440800       3.485400      -1.703500    
 H    4.830000       4.284500     -0.9459000    
 H    7.221300      -2.316800     -0.5411000    
 H    7.067700      -2.399500       1.238500    
 H    7.554100     -0.8999000      0.4518000    
 H    5.484900      -4.031300     -0.7696000    
 H    5.330300      -4.113500       1.010000    
 H    3.946000      -4.457300     -2.4499999E-02
 H   -4.668200      -2.227900      -1.794000    
 H   -6.664800      0.3375000       2.010300    
 H  -0.8909000      -2.275900     -4.2800002E-02
 H  -0.9468000      -2.899100      -1.700600    
 H   -2.315700      -3.158000     -0.6041000    
 H   -2.838100       3.524700      0.4581000    
 H   -1.417000       4.519500      0.1123000    
 H   -2.750700       4.444000      -1.047600    
 H   -7.051700      -2.461100      -1.240100    
 H   -8.047900      -1.204100      0.6350000    


%chk=000173994-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173994

1 1
S -2.949717 -1.125719 1.771915
O 1.825646 -0.292262 0.460817
N 3.283666 1.349281 -0.111198
N -3.342771 -0.167414 -0.669598
C 4.062358 0.239216 0.306154
C 1.937585 1.019273 -0.032386
C 3.155706 -0.775812 0.668511
C 3.829556 2.631684 -0.605360
C 5.446943 0.022788 0.413749
C -0.552258 1.490512 -0.297027
C 5.892074 -1.234760 0.896801
C 0.834540 1.810821 -0.376677
C -2.360040 -0.213402 0.303655
C 4.948164 -2.258555 1.263052
C 3.551992 -2.023195 1.145574
C -4.600935 -0.717097 -0.289555
C -1.038669 0.290662 0.287921
C -3.042501 0.077726 -2.116709
C -4.581779 -1.313121 0.998420
C -1.504089 2.607791 -0.738358
C 4.023653 2.648146 -2.135251
C 7.380013 -1.497342 1.025469
C 5.436055 -3.598840 1.776689
C -5.788855 -0.717373 -1.054089
C -5.719571 -1.931256 1.544568
C -3.024434 -1.232227 -2.929158
C -1.411762 3.850261 0.191043
C -6.936778 -1.327575 -0.507376
C -6.905441 -1.932292 0.775194
H 3.152909 3.442285 -0.282740
H 4.790522 2.796885 -0.088350
H 6.174898 0.790686 0.135599
H 1.088580 2.801520 -0.766818
H 2.823717 -2.790842 1.418913
H -0.330576 -0.287951 0.889616
H -3.790040 0.790793 -2.508402
H -2.059721 0.562155 -2.177806
H -1.273783 2.919236 -1.776952
H -2.549002 2.259269 -0.724220
H 4.716001 1.852269 -2.458944
H 3.065521 2.508812 -2.665188
H 4.449013 3.618596 -2.444880
H 7.693576 -2.362140 0.411080
H 7.660222 -1.732859 2.069324
H 7.975555 -0.626178 0.707086
H 6.081748 -4.106513 1.035558
H 6.040089 -3.484674 2.696531
H 4.596077 -4.273495 2.008388
H -5.829611 -0.248445 -2.041295
H -5.696314 -2.391479 2.536423
H -2.239604 -1.912520 -2.556002
H -2.801374 -0.998981 -3.985218
H -3.989557 -1.762795 -2.894651
H -1.648855 3.579025 1.234543
H -0.405859 4.304459 0.178612
H -2.132282 4.620133 -0.136868
H -7.867032 -1.330584 -1.083560
H -7.808270 -2.400186 1.178831


