%chk=000097659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097659

0 1
 S   -5.525100       1.514300      0.5523000    
 N   -8.830900      -2.468000      5.6100000E-02
 C    2.256200      0.1375000      0.2823000    
 C    1.090700      0.9217000     -0.3320000    
 C    3.608800      0.4634000     -0.3570000    
 C  -0.2657000      0.5803000      0.2905000    
 C    4.783900     -0.2660000      0.3026000    
 C   -1.429800       1.358300     -0.3344000    
 C    6.128100     -1.3000000E-03 -0.3795000    
 C   -2.775700       1.079000      0.3443000    
 C    7.263100     -0.7461000      0.3274000    
 C    8.601500     -0.5155000     -0.3741000    
 C   -3.941500       1.853800     -0.2708000    
 C    9.725500      -1.280700      0.3058000    
 C   -5.904900     -5.9500001E-02 -0.2507000    
 C   -7.232500     -0.6181000      0.2556000    
 C   -7.551700      -1.953100     -0.4183000    
 H    2.303900      0.3533000       1.356800    
 H    2.061300     -0.9373000      0.1830000    
 H    1.051700      0.7201000      -1.409700    
 H    1.280300       1.996000     -0.2173000    
 H    3.784700       1.544700     -0.3022000    
 H    3.572700      0.2020000      -1.421700    
 H  -0.4541000     -0.4951000      0.1845000    
 H  -0.2276000      0.7912000       1.366300    
 H    4.844800      3.5599999E-02   1.355700    
 H    4.583700      -1.344700      0.2940000    
 H   -1.217400       2.432900     -0.2758000    
 H   -1.501400       1.106100      -1.399500    
 H    6.073400     -0.3188000      -1.427800    
 H    6.335200       1.075500     -0.3773000    
 H   -2.969000      1.3000000E-03  0.2884000    
 H   -2.691200       1.331700       1.409000    
 H    7.040500      -1.819900      0.3466000    
 H    7.330600     -0.4115000       1.369700    
 H    8.841700      0.5540000     -0.3752000    
 H    8.533600     -0.8340000      -1.420800    
 H   -3.749500       2.927800     -0.1727000    
 H   -4.030600       1.643500      -1.341900    
 H    9.841100     -0.9645000       1.347500    
 H    10.67340      -1.100600     -0.2109000    
 H    9.531000      -2.357900      0.2929000    
 H   -5.956900      9.5899999E-02  -1.333500    
 H   -5.105600     -0.7776000     -4.3699998E-02
 H   -7.189000     -0.7604000       1.343500    
 H   -8.041400      9.5600002E-02  5.0999999E-02
 H   -7.600900      -1.824500      -1.504900    
 H   -6.764300      -2.684000     -0.2039000    
 H   -9.003900      -3.380900     -0.3627000    
 H   -8.788000      -2.619100       1.063100    


%chk=000097659-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000097659

0 1
S -5.631908 1.503951 0.534080
N -9.135439 -2.397001 -0.130728
C 2.308137 0.183859 0.357915
C 1.122988 0.929852 -0.295555
C 3.660959 0.456926 -0.337517
C -0.233399 0.643593 0.387516
C 4.848157 -0.285725 0.316018
C -1.415333 1.397580 -0.263912
C 6.198829 -0.019421 -0.386434
C -2.774953 1.082785 0.405890
C 7.387209 -0.761005 0.266254
C 8.736876 -0.497021 -0.439937
C -3.938665 1.853493 -0.241265
C 9.918600 -1.241746 0.218238
C -5.944284 -0.237787 -0.151174
C -7.409483 -0.631712 0.100602
C -7.719832 -2.065905 -0.385203
H 2.379924 0.474987 1.426857
H 2.104831 -0.907619 0.346729
H 1.059481 0.647392 -1.367456
H 1.321381 2.021993 -0.273864
H 3.863203 1.548612 -0.329697
H 3.588989 0.162736 -1.405735
H -0.434562 -0.447824 0.358465
H -0.170055 0.919450 1.460736
H 4.924736 0.012877 1.382620
H 4.643423 -1.377000 0.313623
H -1.223707 2.489941 -0.214968
H -1.464920 1.137685 -1.342236
H 6.121973 -0.319042 -1.452850
H 6.403356 1.071938 -0.385230
H -2.967797 -0.006956 0.344038
H -2.729235 1.333514 1.483689
H 7.183342 -1.852496 0.267216
H 7.467786 -0.459965 1.331959
H 8.939683 0.593594 -0.440787
H 8.655182 -0.798025 -1.504523
H -3.804713 2.944235 -0.126050
H -4.017731 1.633016 -1.322201
H 10.040372 -0.935828 1.274647
H 10.870765 -1.036293 -0.304969
H 9.754198 -2.335939 0.204054
H -5.720250 -0.213302 -1.233847
H -5.252636 -0.943010 0.343264
H -7.628559 -0.559619 1.186234
H -8.090649 0.070530 -0.412882
H -7.547401 -2.122106 -1.477711
H -6.993748 -2.771160 0.092415
H -9.463216 -3.254351 -0.584813
H -9.399107 -2.360279 0.859086


