%chk=000130706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130706

0 1
 S   -4.925200     -0.1449000     -0.6347000    
 S   -4.424000       1.233100      0.8003000    
 O    2.054300     -0.2387000     -0.3566000    
 O    3.377800       1.913300      0.9709000    
 O    4.054300      -1.868500      -1.575900    
 O    2.177000      -1.572500       1.516600    
 N    3.420700     -6.3699998E-02 -0.2530000    
 N   -2.699100       1.848400      -1.152100    
 C    5.449500      0.8311000      0.3417000    
 C    5.674000     -0.4243000     -0.5038000    
 C    3.955200      0.9954000      0.4091000    
 C    4.294600     -0.9023000     -0.8687000    
 C   -4.138800      -1.659500      4.4900000E-02
 C   -2.663700      -1.497900      0.1957000    
 C   6.5200001E-02  -1.200900      0.4746000    
 C   -2.081200      -1.558400       1.461700    
 C   -1.866400      -1.287500     -0.9295000    
 C  -0.7016000      -1.408100       1.602700    
 C  -0.4868000      -1.137300     -0.7884000    
 C   -4.562500      -2.853000     -0.8284000    
 C    1.533800      -1.040700      0.6246000    
 C   -2.867000       1.852800      0.1895000    
 C   -1.912800       2.301900       1.088600    
 C  -0.7099000       2.777000      0.5782000    
 C  -0.5003000       2.788200     -0.7964000    
 C   -1.517200       2.317300      -1.611300    
 H    5.898400       1.711200     -0.1278000    
 H    5.854700      0.7087000       1.350400    
 H    6.195900      -1.198900      6.5600000E-02
 H    6.239300     -0.1954000      -1.411800    
 H   -4.596600      -1.826000       1.028500    
 H   -2.688000      -1.720700       2.348500    
 H   -2.296400      -1.243300      -1.926500    
 H  -0.2602000      -1.452600       2.593900    
 H   0.1140000     -0.9870000      -1.680200    
 H   -5.651600      -2.975200     -0.8316000    
 H   -4.129300      -3.781100     -0.4377000    
 H   -4.227600      -2.750400      -1.866800    
 H   -2.078200       2.289500       2.161000    
 H   6.4400002E-02   3.134900       1.250100    
 H   0.4309000       3.150900      -1.216100    
 H   -1.402800       2.302700      -2.690000    


%chk=000130706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130706

0 1
S -5.082090 -0.118080 -0.516665
S -4.300599 1.386516 0.985081
O 2.087388 -0.551800 -0.566680
O 2.983316 2.031655 0.352083
O 4.400321 -2.279201 -0.921034
O 2.142607 -1.163181 1.721244
N 3.440009 -0.179132 -0.369674
N -2.693581 2.255123 -1.105799
C 5.319138 1.126019 0.170103
C 5.786035 -0.295423 -0.247422
C 3.790521 1.116334 0.087042
C 4.516265 -1.093030 -0.563528
C -4.278332 -1.756542 0.118950
C -2.772313 -1.630741 0.220374
C 0.037517 -1.301020 0.468851
C -2.129073 -1.838517 1.468466
C -1.982783 -1.284862 -0.909352
C -0.736847 -1.679852 1.596428
C -0.593146 -1.119329 -0.792846
C -4.757116 -2.838755 -0.874527
C 1.473556 -1.046222 0.683447
C -2.705127 1.935279 0.207834
C -1.572279 2.037398 1.053986
C -0.361043 2.495992 0.488566
C -0.328017 2.823736 -0.886911
C -1.514787 2.686975 -1.642471
H 5.708077 1.919602 -0.490403
H 5.610878 1.387381 1.201272
H 6.334138 -0.818108 0.554408
H 6.435918 -0.291634 -1.138860
H -4.713279 -1.938613 1.115411
H -2.728008 -2.106186 2.346112
H -2.473107 -1.088352 -1.868489
H -0.238549 -1.820496 2.561145
H 0.004337 -0.824143 -1.659076
H -5.859962 -2.887610 -0.904033
H -4.374387 -3.826197 -0.558343
H -4.388581 -2.642156 -1.896477
H -1.633653 1.737196 2.103870
H 0.552564 2.560504 1.087227
H 0.600096 3.159064 -1.358124
H -1.539227 2.928008 -2.711385


