%chk=000155758.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155758

1 1
 S    3.422500      0.5676000      -2.624700    
 N   -6.550000      -2.111000     -0.1747000    
 N   -4.620300       1.093300      0.2941000    
 N   0.9669000      0.7543000      0.1724000    
 N    1.352100      0.3953000     -0.9650000    
 N    3.569900     -3.4400001E-02 -0.1677000    
 N    4.965000      0.2635000      -2.051400    
 C   -5.736600     -0.8892000     -0.5771000    
 C   -5.436100     -4.4000000E-02  0.6480000    
 C   -5.751900      -2.948800      0.8137000    
 C   -7.851200      -1.662700      0.4751000    
 C   -6.860400      -2.943100      -1.410500    
 C   -5.284800       2.351200     -5.0700001E-02
 C   -3.221400       1.008100      0.2635000    
 C   -5.292200       3.309400       1.128200    
 C   -2.579400     -0.1910000      0.5920000    
 C   -2.453900       2.121700     -9.5700003E-02
 C   -1.187400     -0.2757000      0.5618000    
 C   -1.061900       2.036900     -0.1260000    
 C  -0.4288000      0.8382000      0.2028000    
 C    2.702900      0.2810000      -1.097800    
 C    5.973200     -0.3443000      4.6599999E-02
 C    4.821800     -2.8999999E-02 -0.7588000    
 C    5.898900     -0.2395000       1.433400    
 C    7.156300     -0.7523000     -0.5649000    
 C    7.014400     -0.5445000       2.213500    
 C    8.271600      -1.057500      0.2153000    
 C    8.200600     -0.9535000       1.604500    
 H   -4.823600      -1.248600      -1.065900    
 H   -6.320200     -0.3281000      -1.317300    
 H   -6.372000      0.3523000       1.059000    
 H   -4.996900     -0.5849000       1.488300    
 H   -4.746100      -3.104700      0.4129000    
 H   -5.723200      -2.463200       1.791400    
 H   -6.259500      -3.912900      0.9236000    
 H   -7.655800      -1.253300       1.469300    
 H   -8.495000      -2.542000      0.5814000    
 H   -8.332900     -0.9252000     -0.1737000    
 H   -7.432300      -2.324600      -2.108600    
 H   -7.446200      -3.816100      -1.107600    
 H   -5.914400      -3.257100      -1.861800    
 H   -6.329400       2.147400     -0.3216000    
 H   -4.862800       2.814100     -0.9498000    
 H   -5.827000       4.227100      0.8634000    
 H   -4.285700       3.589400       1.450800    
 H   -5.799600       2.861100       1.989500    
 H   -3.111400      -1.095400      0.8657000    
 H   -2.880400       3.081900     -0.3634000    
 H  -0.7025000      -1.214400      0.8174000    
 H  -0.4783000       2.910100     -0.4064000    
 H    4.990600      8.2500003E-02   1.936400    
 H    7.245200     -0.8522000      -1.643800    
 H    6.959900     -0.4622000       3.295200    
 H    9.195100      -1.377800     -0.2583000    
 H    9.069000      -1.191100       2.211900    


%chk=000155758-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155758

1 1
S 3.231084 -3.162049 0.050156
N -6.768628 -1.780492 -0.851055
N -4.671527 1.107982 0.655443
N 0.915077 0.048132 0.360622
N 1.295731 -1.213910 0.291350
N 3.700088 -0.561384 0.271627
N 4.922712 -2.601513 0.045117
C -5.902485 -0.497035 -0.712982
C -5.658133 0.027686 0.731027
C -6.041833 -2.987197 -0.257231
C -8.116880 -1.598727 -0.157629
C -7.003144 -2.033611 -2.343007
C -5.172878 2.501370 0.790989
C -3.291567 0.816310 0.605371
C -5.120867 3.037617 2.237998
C -2.818280 -0.539973 0.586708
C -2.316512 1.861458 0.561189
C -1.452697 -0.834720 0.509806
C -0.950050 1.560813 0.480293
C -0.491572 0.215241 0.444625
C 2.678018 -1.409609 0.224821
C 6.196645 -0.496933 0.203776
C 4.921238 -1.237638 0.172056
C 6.184503 0.917080 0.340766
C 7.434731 -1.186672 0.100035
C 7.400142 1.631442 0.373705
C 8.644868 -0.465830 0.133520
C 8.632347 0.943817 0.270480
H -4.933335 -0.726892 -1.187151
H -6.409307 0.282470 -1.308112
H -6.589680 0.435142 1.158487
H -5.313821 -0.776733 1.408239
H -5.074461 -3.109595 -0.767721
H -5.882108 -2.830089 0.818922
H -6.660215 -3.885315 -0.408992
H -7.964122 -1.509543 0.927444
H -8.747852 -2.475854 -0.368779
H -8.600487 -0.689733 -0.546831
H -7.569786 -1.190666 -2.766720
H -7.573800 -2.967136 -2.465918
H -6.029807 -2.120030 -2.849430
H -6.216198 2.521189 0.423096
H -4.600930 3.157844 0.111907
H -5.500277 4.074448 2.273677
H -4.089553 3.036606 2.629477
H -5.742175 2.424420 2.915719
H -3.518614 -1.378586 0.664511
H -2.618187 2.910652 0.598741
H -1.094777 -1.869194 0.505522
H -0.201194 2.358420 0.446726
H 5.222212 1.432123 0.420037
H 7.430798 -2.276042 -0.004746
H 7.388259 2.721551 0.479981
H 9.598032 -0.999399 0.053594
H 9.575654 1.500389 0.296644


