%chk=000090886.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090886

1 1
 S   -5.153400       1.336200      0.8859000    
 S    4.863300       1.452000     -0.1224000    
 N   -6.011600     -0.6751000     -0.3426000    
 N    6.153800     -0.8939000     -9.0200000E-02
 C   -7.111700      0.1424000     -0.2131000    
 C    7.156000      9.3599997E-02 -0.1486000    
 C   -6.070000      -1.962400      -1.003000    
 C    6.517700      -2.297400     -6.0500000E-02
 C   -6.825600       1.326900      0.4542000    
 C   -4.926300     -0.1874000      0.1790000    
 C    6.653800       1.414200     -0.1728000    
 C    4.874500     -0.3350000     -7.0600003E-02
 C   -8.406200     -0.1275000     -0.6790000    
 C    8.533300     -0.1031000     -0.1831000    
 C   -7.819900       2.288500      0.6829000    
 C    7.490300       2.520400     -0.2291000    
 C   -6.406200      -3.070700     -2.3600001E-02
 C    6.731500      -2.779200       1.364400    
 C   -3.649000     -0.8378000      0.1805000    
 C    3.692900     -0.9697000     -1.8999999E-02
 C   -9.401100      0.8288000     -0.4532000    
 C    9.384600       1.005800     -0.2402000    
 C   -9.111200       2.017000      0.2170000    
 C    8.867100       2.307100     -0.2629000    
 C   -2.476000     -0.1859000      0.1286000    
 C    2.426000     -0.2799000     -3.5999999E-03
 C   -1.201300     -0.8741000      0.1144000    
 C    1.248700     -0.9212000      4.8000000E-02
 C  -2.3900000E-02 -0.2329000      6.2700003E-02
 H   -5.119700      -2.180000      -1.504400    
 H   -6.803200      -1.942200      -1.816200    
 H    5.721300      -2.899800     -0.5142000    
 H    7.401100      -2.508800     -0.6734000    
 H   -8.669200      -1.044600      -1.195300    
 H    8.976600      -1.092800     -0.1590000    
 H   -7.602400       3.215500       1.203700    
 H    7.093700       3.530300     -0.2470000    
 H   -5.666200      -3.135900      0.7796000    
 H   -6.437000      -4.036100     -0.5379000    
 H   -7.382900      -2.901800      0.4410000    
 H    7.548900      -2.238000       1.851600    
 H    5.829800      -2.636200       1.969000    
 H    6.979300      -3.845200       1.371200    
 H   -3.638600      -1.924300      0.2052000    
 H    3.662000      -2.055200      1.7999999E-02
 H   -10.41320      0.6421000     -0.8026000    
 H    10.46090      0.8562000     -0.2653000    
 H   -9.901200       2.745500      0.3815000    
 H    9.544900       3.155100     -0.3068000    
 H   -2.434400      0.8990000      7.7500001E-02
 H    2.382100      0.8030000     -3.4699999E-02
 H   -1.225700      -1.961200      0.1487000    
 H    1.222500      -2.008200      8.0899999E-02
 H   1.9999999E-04  0.8542000      2.9100001E-02


%chk=000090886-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090886

1 1
S -5.084600 1.569907 -0.042253
S 5.099958 1.669256 0.127589
N -6.197228 -0.811229 -0.390448
N 6.269246 -0.691883 -0.168118
C -7.297090 0.072415 -0.241956
C 7.346167 0.213749 0.012706
C -6.386200 -2.271405 -0.598491
C 6.494050 -2.149550 -0.357863
C -6.898165 1.423070 -0.057060
C -4.943528 -0.228629 -0.287819
C 6.915540 1.557281 0.176285
C 5.001666 -0.132957 -0.112523
C -8.670391 -0.260828 -0.266012
C 8.725498 -0.093353 0.037447
C -7.832931 2.459251 0.093109
C 7.824731 2.611883 0.352785
C -6.434242 -3.057540 0.727129
C 6.518119 -2.923748 0.975297
C -3.709477 -0.901111 -0.350045
C 3.783793 -0.829258 -0.214713
C -9.614815 0.776482 -0.114420
C 9.644397 0.962577 0.215331
C -9.206457 2.122380 0.061118
C 9.204756 2.301171 0.369474
C -2.449085 -0.269951 -0.272487
C 2.509402 -0.222438 -0.184179
C -1.212971 -0.946200 -0.322694
C 1.289153 -0.922358 -0.276595
C 0.030631 -0.282840 -0.236360
H -5.571494 -2.633624 -1.247594
H -7.320456 -2.404100 -1.169141
H 5.707257 -2.533995 -1.028156
H 7.447765 -2.267535 -0.899041
H -9.006850 -1.293725 -0.391625
H 9.085359 -1.120283 -0.070682
H -7.515056 3.496493 0.232067
H 7.482759 3.643559 0.475014
H -5.493557 -2.947987 1.293720
H -6.588038 -4.130689 0.518169
H -7.262992 -2.711300 1.368336
H 7.319606 -2.554795 1.638154
H 5.558624 -2.829824 1.512387
H 6.700720 -3.995034 0.780365
H -3.726211 -1.992019 -0.454589
H 3.825016 -1.919987 -0.314225
H -10.681616 0.533176 -0.130531
H 10.715549 0.739690 0.236793
H -9.957088 2.909801 0.176568
H 9.935891 3.103409 0.506098
H -2.416228 0.825534 -0.162331
H 2.451883 0.872592 -0.079384
H -1.215832 -2.040270 -0.432421
H 1.316502 -2.016364 -0.383591
H 0.018260 0.813438 -0.128293


