%chk=000137346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137346

0 1
 S   -3.514300      0.9908000      0.2891000    
 N    3.040700      0.1254000     -0.1355000    
 N    5.326000     -0.8631000      2.7500000E-02
 N    4.949900       1.434800      0.4115000    
 N    2.876400       2.452200      0.2496000    
 N    7.079000      0.4855000      0.6825000    
 C    3.908300      -1.058400     -0.3297000    
 C    3.444700      -2.244200      0.5383000    
 C    3.923700      -1.479400      -1.809600    
 C    1.640400     -3.7000000E-02 -0.1437000    
 C    3.665400       1.325400      0.1882000    
 C   0.9587000     -0.4494000       1.013800    
 C   0.8958000      0.2106000      -1.309500    
 C    5.753800      0.3154000      0.3596000    
 C   -1.151000     -0.3602000     -0.1596000    
 C  -0.4268000     -0.6099000       1.005900    
 C  -0.4898000      5.0200000E-02  -1.317300    
 C   -2.632300     -0.5326000     -0.1684000    
 C   -5.218000      0.4560000      0.1832000    
 C   -5.665400     -0.5891000      0.9861000    
 C   -6.087000       1.088100     -0.7011000    
 C   -6.993800      -1.006100      0.9037000    
 C   -7.415500      0.6710000     -0.7834000    
 C   -7.868800     -0.3761000      1.8999999E-02
 H    2.459000      -2.620400      0.2464000    
 H    3.422500      -1.974600       1.600200    
 H    4.140500      -3.087700      0.4442000    
 H    2.930600      -1.785400      -2.155000    
 H    4.256800     -0.6517000      -2.446700    
 H    4.607000      -2.319800      -1.978900    
 H    1.500600     -0.6284000       1.939300    
 H    1.397200      0.5329000      -2.219200    
 H  -0.9303000     -0.9248000       1.916200    
 H   -1.042400      0.2492000      -2.231800    
 H   -2.967200     -0.8508000      -1.163000    
 H   -2.907900      -1.340100      0.5195000    
 H    3.284400       3.353500      0.4745000    
 H    1.878800       2.437700      7.3700003E-02
 H    7.728300     -0.2933000      0.6654000    
 H    7.443600       1.394500      0.9454000    
 H   -5.004400      -1.088000       1.689900    
 H   -5.750800       1.905400      -1.334000    
 H   -7.347600      -1.819800       1.530000    
 H   -8.097200       1.161400      -1.472200    
 H   -8.903400     -0.7004000     -4.4700000E-02


%chk=000137346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000137346

0 1
S -3.509825 1.017769 0.342631
N 3.092145 0.024075 0.000280
N 5.373032 -0.937437 0.194899
N 4.974656 1.480305 0.369141
N 2.820521 2.366037 0.311853
N 7.051792 0.551316 0.875929
C 4.051447 -1.119159 -0.419416
C 3.476255 -2.465583 0.060593
C 4.186096 -1.099351 -1.968898
C 1.661529 -0.147037 -0.040721
C 3.659694 1.273988 0.216233
C 0.954879 -0.509673 1.135234
C 0.938700 0.051842 -1.247054
C 5.757273 0.308043 0.448768
C -1.172270 -0.494413 -0.104008
C -0.443745 -0.680805 1.100874
C -0.461402 -0.120703 -1.274063
C -2.668916 -0.660860 -0.131798
C -5.278757 0.488125 0.234779
C -5.919403 -0.072331 1.365719
C -5.997369 0.673943 -0.970239
C -7.278776 -0.455225 1.286658
C -7.357405 0.291742 -1.044422
C -7.998482 -0.274968 0.082082
H 2.497952 -2.688543 -0.399524
H 3.376944 -2.470285 1.159114
H 4.193602 -3.254603 -0.218903
H 3.223613 -1.328270 -2.462236
H 4.547867 -0.112256 -2.308401
H 4.925790 -1.860382 -2.272256
H 1.516388 -0.654141 2.063889
H 1.480190 0.342713 -2.153427
H -0.980410 -0.957604 2.015932
H -1.010988 0.039543 -2.209217
H -3.044650 -0.923398 -1.133350
H -3.023515 -1.401226 0.602861
H 3.253323 3.254586 0.549881
H 1.820400 2.297336 0.145124
H 7.698727 -0.226527 0.963520
H 7.304777 1.493372 1.157295
H -5.359096 -0.195110 2.298767
H -5.495511 1.121112 -1.834808
H -7.773481 -0.886725 2.163915
H -7.913025 0.439221 -1.977187
H -9.052364 -0.569152 0.023359


