%chk=000090414.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090414

1 1
 S   -4.352400      -2.696800     -0.1977000    
 N    4.082900      -1.098500     -6.9899999E-02
 N    5.942400      0.9853000     -0.7735000    
 N   -1.452700     -0.2652000     -1.7500000E-02
 N   -2.054300      -1.363100     -9.6699998E-02
 N   -4.135000     -0.1785000     -1.9500000E-02
 N   -5.797000      -1.853600     -0.1434000    
 C    4.807700      -1.133800      -1.324700    
 C    5.138300      0.2749000      -1.795400    
 C    4.807500      -1.297400       1.169600    
 C    2.688700     -0.8870000     -5.6200001E-02
 C    4.835500      -2.771000       1.527500    
 C    2.000700     -0.6966000      -1.254500    
 C    1.997500     -0.8698000       1.155200    
 C    7.266700      0.8868000     -0.8417000    
 C    5.295600       1.682700      0.1557000    
 C   0.6214000     -0.4890000      -1.241500    
 C   0.6182000     -0.6623000       1.168200    
 C  -6.2700003E-02 -0.4729000     -3.0200001E-02
 C    8.045100       1.542000      0.1017000    
 C    6.022900       2.358100       1.125400    
 C    7.412300       2.284300       1.094100    
 C   -6.486000      0.4456000      1.8100001E-02
 C   -5.466400     -0.5636000     -5.1100001E-02
 C   -3.405000      -1.269600     -9.4200000E-02
 C   -6.180800       1.768600     -0.3016000    
 C   -7.781700      0.1028000      0.4047000    
 C   -7.170900       2.748800     -0.2346000    
 C   -8.771900       1.082900      0.4716000    
 C   -8.466500       2.405900      0.1520000    
 H    4.287600      -1.707500      -2.099800    
 H    5.750600      -1.678400      -1.180300    
 H    5.718300      0.2461000      -2.725400    
 H    4.248500      0.8810000      -1.998300    
 H    5.853900     -0.9954000       1.041100    
 H    4.453500     -0.6785000       2.000100    
 H    3.829700      -3.164000       1.706300    
 H    5.287200      -3.366900      0.7271000    
 H    5.424300      -2.928200       2.436900    
 H    2.477600     -0.6949000      -2.228100    
 H    2.466900      -1.027900       2.119200    
 H    7.695900      0.2886000      -1.635800    
 H    4.214200       1.720200      0.1172000    
 H   9.2500001E-02 -0.3399000      -2.179100    
 H   8.5900001E-02 -0.6535000       2.115800    
 H    9.127200       1.475400      6.7199998E-02
 H    5.517600       2.936700       1.891300    
 H    8.001500       2.805600       1.842600    
 H   -5.182100       2.065800     -0.6123000    
 H   -8.053900     -0.9162000      0.6686000    
 H   -6.933900       3.778700     -0.4847000    
 H   -9.780500      0.8167000      0.7743000    
 H   -9.237600       3.169000      0.2042000    


%chk=000090414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090414

1 1
S -4.138290 -0.922833 2.953415
N 4.255370 -1.195834 -0.276448
N 5.876487 1.342629 -0.578973
N -1.360446 -0.346781 0.175300
N -1.936838 -0.685057 1.313475
N -4.157330 0.108606 0.509404
N -5.679713 -0.328982 2.296956
C 4.936440 -0.814157 -1.513500
C 5.100937 0.734596 -1.691473
C 5.006904 -2.073522 0.669585
C 2.853491 -1.034088 -0.156975
C 4.784482 -3.579702 0.418055
C 2.072265 -0.478780 -1.220675
C 2.175331 -1.392996 1.056190
C 7.217822 1.635750 -0.728747
C 5.245858 1.517564 0.639351
C 0.691855 -0.276036 -1.066887
C 0.801024 -1.184542 1.205529
C 0.034670 -0.612276 0.145741
C 7.964514 2.124109 0.347723
C 5.965558 2.002722 1.743139
C 7.337427 2.310142 1.607556
C -6.567524 0.714942 0.248561
C -5.452560 0.155299 1.033489
C -3.308790 -0.432361 1.378698
C -6.326079 1.212985 -1.060175
C -7.880647 0.759138 0.791563
C -7.388933 1.749723 -1.815368
C -8.937040 1.296959 0.030500
C -8.695767 1.793746 -1.273641
H 4.401272 -1.173564 -2.414297
H 5.933867 -1.284927 -1.530568
H 5.619846 0.940094 -2.642003
H 4.110728 1.218007 -1.719352
H 6.079812 -1.829126 0.566393
H 4.732482 -1.811643 1.706416
H 3.721442 -3.853271 0.529012
H 5.107742 -3.869474 -0.597662
H 5.367876 -4.174759 1.143141
H 2.517923 -0.245460 -2.192032
H 2.724008 -1.848477 1.884714
H 7.646162 1.475664 -1.720655
H 4.178274 1.295821 0.675804
H 0.088034 0.136482 -1.881334
H 0.288362 -1.460101 2.132145
H 9.020576 2.359849 0.198046
H 5.442311 2.146242 2.691378
H 7.907180 2.696216 2.457192
H -5.309698 1.169733 -1.463444
H -8.054178 0.371697 1.800232
H -7.201374 2.132284 -2.824386
H -9.947962 1.329644 0.450340
H -9.520166 2.210609 -1.862448


