%chk=000130774.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130774

0 1
 S    2.115400      -3.801400      7.3299997E-02
 N   -1.275000      -3.241700     -0.3217000    
 N  -0.3768000       1.494700      0.3802000    
 N    3.738000       2.893000     -0.3182000    
 N    3.300900      -1.577500      0.5067000    
 C  -0.8026000     -0.8563000      3.4100000E-02
 C    1.401400     -4.6999999E-03  0.4404000    
 C  -0.3046000      -2.219500     -6.4099997E-02
 C   4.9199998E-02  0.2265000      0.2835000    
 C   -2.180200     -0.5337000     -0.1156000    
 C    2.308800       1.164500      0.7074000    
 C    1.949600      -1.296700      0.3571000    
 C    1.102400      -2.385900      0.1081000    
 C   -2.645000      0.8091000     -1.5300000E-02
 C    2.841500       1.774700     -0.5913000    
 C   -1.674700       1.791500      0.2382000    
 C   -3.102900      -1.650600     -0.3790000    
 C   -2.605100      -2.887400     -0.4612000    
 C  -0.8769000      -4.639800     -0.4372000    
 C   -3.995800       1.227800     -0.1500000    
 C   -2.061200       3.125000      0.3484000    
 C    3.498300      -2.863000      0.3766000    
 C   -4.362600       2.567800     -3.6499999E-02
 C   -3.390400       3.520400      0.2138000    
 C    3.027000       3.962800      0.3835000    
 C    4.321300       3.400300      -1.561000    
 H    1.781900       1.890200       1.335200    
 H    3.155200      0.8353000       1.325900    
 H    2.008700       2.086400      -1.236600    
 H    3.388200      0.9978000      -1.142300    
 H   -4.164500      -1.489800     -0.5054000    
 H   -3.271000      -3.722200     -0.6546000    
 H  -0.4359000      -5.002500      0.4965000    
 H  -0.1933000      -4.786700      -1.279200    
 H   -1.738300      -5.290300     -0.6339000    
 H   -4.791300      0.5145000     -0.3467000    
 H   -1.311000       3.889600      0.5448000    
 H    4.482400      -3.303900      0.4567000    
 H   -5.402600       2.860300     -0.1439000    
 H   -3.659600       4.568200      0.3049000    
 H    3.657900       4.857400      0.4536000    
 H    2.804400       3.695100       1.420400    
 H    2.098200       4.251200     -0.1224000    
 H    5.035900       4.204200      -1.351700    
 H    3.559300       3.785400      -2.248400    
 H    4.882200       2.611100      -2.074000    


%chk=000130774-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130774

0 1
S 2.015486 -4.019013 0.036246
N -1.305836 -3.270226 -0.319655
N -0.335534 1.532491 0.421897
N 3.693361 3.040231 -0.313497
N 3.298328 -1.706832 0.502980
C -0.834643 -0.876522 0.047395
C 1.494038 -0.023111 0.477419
C -0.346501 -2.245539 -0.057893
C 0.086983 0.226489 0.314061
C -2.229838 -0.572589 -0.108197
C 2.451486 1.116129 0.740139
C 1.932368 -1.350683 0.366001
C 1.036028 -2.463116 0.102085
C -2.670859 0.793908 0.001484
C 2.828940 1.862704 -0.570046
C -1.666639 1.810513 0.272090
C -3.131421 -1.668049 -0.371597
C -2.647430 -2.952139 -0.465649
C -0.915591 -4.690235 -0.444585
C -4.040219 1.197365 -0.141838
C -2.082153 3.184100 0.387405
C 3.501356 -2.987206 0.366764
C -4.411678 2.537035 -0.025140
C -3.420295 3.539829 0.242728
C 2.954434 4.184148 0.258125
C 4.472637 3.438471 -1.502115
H 1.961284 1.827827 1.426067
H 3.378891 0.742225 1.202255
H 1.890004 2.148835 -1.105366
H 3.389426 1.164412 -1.219829
H -4.201900 -1.507017 -0.499780
H -3.309975 -3.797966 -0.663658
H -0.450697 -5.058073 0.485667
H -0.213791 -4.838176 -1.282751
H -1.818284 -5.289417 -0.640085
H -4.814390 0.450268 -0.346628
H -1.302495 3.924544 0.591589
H 4.471543 -3.480914 0.435158
H -5.461751 2.827987 -0.137670
H -3.724055 4.588977 0.332164
H 3.664510 4.992042 0.513151
H 2.435064 3.881654 1.182304
H 2.185972 4.601242 -0.443169
H 5.164458 4.258502 -1.234422
H 3.839198 3.792206 -2.357123
H 5.076979 2.583888 -1.855379


