%chk=000132552.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132552

0 1
 S   -3.559900       1.069400      0.6074000    
 O   -4.040200      0.2025000       1.672000    
 O   -2.388900       1.906300      0.8196000    
 N    3.695400       1.862800     -0.5248000    
 N    1.071800      -3.301100      0.2519000    
 N   -4.837800       2.069300      6.7900002E-02
 C    2.829900      0.7787000     -3.9799999E-02
 C    3.697200      0.1092000       1.028200    
 C    4.662200       1.191500       1.499600    
 C    4.310600       2.422700      0.6811000    
 C    2.419500     -0.2020000      -1.130900    
 C    1.611500      -1.345000     -0.5978000    
 C    2.976500       2.881700      -1.280100    
 C   0.2063000      -1.379200     -0.4791000    
 C    2.126400      -2.525000     -0.1480000    
 C  -0.1132000      -2.626800      6.1000001E-02
 C  -0.8380000     -0.4801000     -0.7735000    
 C   -2.159900     -0.8617000     -0.5173000    
 C   -1.430000      -3.021900      0.3224000    
 C   -2.449100      -2.113400      2.2399999E-02
 C   -3.271500      8.5699998E-02 -0.8272000    
 C   -4.518900       3.276700     -0.7151000    
 H    1.936800       1.194000      0.4498000    
 H    4.282800     -0.7283000      0.6311000    
 H    3.091800     -0.2650000       1.861000    
 H    4.565800       1.381800       2.573400    
 H    5.694900      0.8785000       1.305500    
 H    3.605200       3.049500       1.242100    
 H    5.198900       3.019600      0.4509000    
 H    3.308800     -0.5980000      -1.640700    
 H    1.837700      0.3113000      -1.906300    
 H    3.657100       3.689900      -1.570100    
 H    2.150000       3.319800     -0.7091000    
 H    2.571800       2.468600      -2.209400    
 H    3.139000      -2.896300     -7.3899999E-02
 H    1.150900      -4.234400      0.6316000    
 H  -0.6155000      0.4971000      -1.193700    
 H   -1.656000      -3.996300      0.7423000    
 H   -4.193900     -0.4482000      -1.076600    
 H   -3.011700      0.7428000      -1.662700    
 H   -3.479200      -2.403200      0.2179000    
 H   -5.708300       1.599800     -0.2131000    
 H   -4.196000       2.998700      -1.721300    
 H   -3.749400       3.875900     -0.2229000    
 H   -5.421600       3.888600     -0.8004000    


%chk=000132552-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132552

0 1
S -3.288747 1.168204 0.386789
O -3.969911 0.429314 1.673842
O -1.908822 2.033899 0.537591
N 3.264305 1.951736 -0.510095
N 1.172454 -3.686930 0.207914
N -4.598622 2.317593 -0.390805
C 2.575582 0.746321 0.046124
C 3.266554 0.488315 1.423050
C 4.464091 1.479547 1.465646
C 3.957565 2.648880 0.599600
C 2.691704 -0.447792 -0.952240
C 1.847060 -1.634257 -0.564814
C 2.429025 2.808783 -1.363721
C 0.391609 -1.690668 -0.566354
C 2.281484 -2.869225 -0.088466
C -0.000562 -2.987096 -0.068049
C -0.610671 -0.768451 -0.938277
C -1.974577 -1.127630 -0.794703
C -1.356416 -3.359937 0.083262
C -2.332978 -2.415836 -0.273081
C -3.027460 -0.153645 -1.141730
C -4.207890 3.751829 -0.339664
H 1.492472 0.957447 0.213147
H 3.579775 -0.564858 1.533628
H 2.562286 0.707987 2.245132
H 4.724484 1.790448 2.492214
H 5.360103 1.032596 0.998316
H 3.264494 3.296852 1.195612
H 4.770798 3.289011 0.209850
H 3.758773 -0.728092 -1.023163
H 2.396074 -0.083456 -1.956822
H 3.040490 3.627077 -1.785604
H 1.564194 3.263865 -0.817610
H 2.025421 2.225325 -2.211418
H 3.297173 -3.232250 0.059183
H 1.222826 -4.634908 0.574250
H -0.347822 0.227813 -1.310657
H -1.643348 -4.342215 0.473396
H -4.047665 -0.550950 -1.242625
H -2.784547 0.571104 -1.931658
H -3.393634 -2.660510 -0.147780
H -5.446904 2.110707 0.172144
H -4.825596 4.288228 -1.083008
H -3.149143 3.842792 -0.635834
H -4.325679 4.229532 0.652786


