%chk=000102319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102319

0 1
 S    4.114500       1.554500      0.6020000    
 S   -1.273500       1.104600      0.4361000    
 O   0.3784000      -2.036700     -0.9326000    
 N    4.871300     -0.8020000     -0.4201000    
 N   -3.689700      6.0800001E-02 -2.0999999E-03
 N   -1.765800      -1.232700     -0.5715000    
 C    6.062900     -0.1105000     -0.1291000    
 C    3.741400     -5.1199999E-02 -8.9900002E-02
 C    4.925200      -2.131700     -0.9962000    
 C    5.856200       1.172400      0.4265000    
 C    7.366600     -0.5544000     -0.3294000    
 C    6.911500       2.002300      0.7791000    
 C    2.450300     -0.3906000     -0.2300000    
 C    4.976100      -3.175400      0.1031000    
 C    8.437000      0.2751000      2.2600001E-02
 C    8.211100       1.543300      0.5726000    
 C    1.362300      0.4742000      0.1493000    
 C   -2.351000     -0.1706000     -0.1093000    
 C   -4.573800      -1.056600      0.2068000    
 C   -4.171600       1.414200     -0.1016000    
 C   7.5400002E-02  0.1366000      9.8999999E-03
 C  -0.3849000      -1.160800     -0.5484000    
 C   -5.862400     -0.9896000     -0.2837000    
 C   -4.277200       2.172000       1.047300    
 C   -4.105300      -2.159800      0.8913000    
 C   -4.513500       1.911500      -1.343000    
 C   -6.718900      -2.071600     -8.0700003E-02
 C   -4.744700       3.482500      0.9507000    
 C   -4.961900      -3.241900       1.094100    
 C   -4.980900       3.222200      -1.439500    
 C   -6.268700      -3.197700      0.6081000    
 C   -5.096500       4.007700     -0.2925000    
 H    4.039200      -2.314300      -1.615900    
 H    5.769000      -2.254000      -1.684200    
 H    7.587500      -1.532100     -0.7441000    
 H    2.289400      -1.370000     -0.6425000    
 H    6.741000       2.985500       1.205300    
 H    5.869100      -3.060800      0.7260000    
 H    4.101300      -3.104900      0.7583000    
 H    4.993400      -4.180500     -0.3298000    
 H    9.456500     -6.9200002E-02 -0.1304000    
 H    9.055800       2.172200      0.8399000    
 H    1.552500       1.454700      0.5716000    
 H   -6.247400     -0.1365000     -0.8307000    
 H   -4.016900       1.768400       2.021700    
 H   -3.112500      -2.214400       1.326000    
 H   -4.422600       1.307200      -2.241000    
 H   -7.736100      -2.038300     -0.4601000    
 H   -4.837200       4.093300       1.844100    
 H   -4.615400      -4.114700       1.639900    
 H   -5.254100       3.631400      -2.407700    
 H   -6.936200      -4.039500      0.7680000    
 H   -5.460800       5.028000     -0.3677000    


%chk=000102319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102319

0 1
S 4.426437 1.878825 -0.129125
S -1.274595 1.227450 -0.049343
O 0.477169 -2.344958 -0.149205
N 5.059974 -0.705608 -0.284489
N -3.729133 -0.113828 -0.009165
N -1.722132 -1.463753 -0.083711
C 6.302656 -0.040322 -0.225126
C 3.922850 0.110753 -0.205637
C 4.948305 -2.180336 -0.377026
C 6.177816 1.374912 -0.153566
C 7.588546 -0.628733 -0.235336
C 7.299517 2.214983 -0.107210
C 2.609650 -0.331691 -0.182346
C 4.856371 -2.860801 1.004279
C 8.722204 0.214514 -0.189309
C 8.586892 1.621559 -0.127953
C 1.466161 0.527633 -0.136595
C -2.360188 -0.311450 -0.048368
C -4.724985 -1.167546 -0.004452
C -4.196654 1.270228 0.034523
C 0.153601 0.079696 -0.105962
C -0.302431 -1.341338 -0.116637
C -6.100317 -0.801300 0.021716
C -4.402407 1.896752 1.283909
C -4.375140 -2.546034 -0.024384
C -4.444032 1.962142 -1.172112
C -7.100556 -1.794942 0.027737
C -4.857541 3.233535 1.324675
C -5.391191 -3.524795 -0.017482
C -4.898738 3.298951 -1.125516
C -6.757314 -3.165312 0.008423
C -5.106445 3.934718 0.121245
H 4.059622 -2.418861 -0.985594
H 5.825535 -2.546750 -0.938408
H 7.713581 -1.714867 -0.269833
H 2.397114 -1.405806 -0.189667
H 7.187607 3.302299 -0.055241
H 5.748478 -2.643072 1.617551
H 3.963232 -2.517281 1.552954
H 4.778347 -3.955357 0.878304
H 9.720888 -0.234646 -0.196889
H 9.476344 2.258298 -0.091678
H 1.640441 1.613918 -0.125004
H -6.394935 0.251040 0.037342
H -4.204109 1.338690 2.204655
H -3.320881 -2.826874 -0.046255
H -4.277647 1.454403 -2.127609
H -8.152824 -1.489828 0.047665
H -5.014460 3.725067 2.290674
H -5.101934 -4.581665 -0.032888
H -5.088025 3.841393 -2.057893
H -7.537284 -3.934139 0.013257
H -5.458041 4.971736 0.154707


