%chk=000118455.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118455

0 1
 S   -1.408300      2.6300000E-02  -1.552100    
 S    1.389500     -2.2900000E-02   1.496200    
 N   -1.326300      0.6426000      0.9839000    
 N    1.307300     -0.6397000      -1.039900    
 C   -3.525800       1.018700     -8.3499998E-02
 C    3.507200      -1.014300      2.7200000E-02
 C   -4.457700     -0.1718000     -0.4720000    
 C    4.501500      0.1440000      0.4636000    
 C   -2.037700      0.5828000     -7.7399999E-02
 C    2.086200     -0.5997000      2.1800000E-02
 C   -3.912700       1.493300       1.340600    
 C   -3.810800       2.208600      -1.029200    
 C    3.752600      -2.192700       1.041900    
 C    4.059400      -1.575200      -1.337700    
 C   -4.421000      -1.371200      0.4849000    
 C    4.407600       1.409000     -0.4005000    
 C   7.6200001E-02 -0.1880000     -0.6786000    
 C  -9.5200002E-02  0.1910000      0.6227000    
 C   -5.399400      -2.452700      4.8500001E-02
 C    5.307400       2.511600      0.1396000    
 H   -4.235300     -0.5178000      -1.489300    
 H   -5.492600      0.1966000     -0.5107000    
 H    5.534100     -0.2295000      0.4382000    
 H    4.309000      0.4171000       1.509500    
 H   -3.672600      0.7564000       2.114500    
 H   -4.984500       1.713000       1.408300    
 H   -3.373800       2.411700       1.606000    
 H   -4.844900       2.558200     -0.9302000    
 H   -3.146800       3.053000     -0.8103000    
 H   -3.658700       1.936200      -2.079200    
 H    3.561600      -1.889000       2.076900    
 H    4.789000      -2.547400      0.9966000    
 H    3.095300      -3.040900      0.8169000    
 H    5.123600      -1.827000      -1.275300    
 H    3.512000      -2.479600      -1.628500    
 H    3.924800     -0.8476000      -2.145100    
 H   -3.413700      -1.798900      0.5262000    
 H   -4.692100      -1.069100       1.500800    
 H    4.703600       1.187800      -1.431100    
 H    3.379500       1.784500     -0.4303000    
 H   -6.425700      -2.072000      3.4800000E-02
 H   -5.360700      -3.299900      0.7404000    
 H   -5.155000      -2.821000     -0.9530000    
 H    5.016500       2.792500       1.156900    
 H    5.235600       3.402500     -0.4921000    
 H    6.353800       2.190500      0.1566000    


%chk=000118455-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118455

0 1
S -1.418122 -0.098251 -1.506921
S 1.446035 0.045375 1.676534
N -1.329643 0.671674 1.090966
N 1.358037 -0.722832 -0.921456
C -3.624612 1.057307 0.065342
C 3.663681 -1.072284 0.095294
C -4.550312 -0.097491 -0.448987
C 4.567699 0.166406 0.426273
C -2.175476 0.605258 0.072173
C 2.203368 -0.657705 0.097996
C -4.026757 1.497119 1.498057
C -3.765417 2.274584 -0.901101
C 3.892457 -2.159137 1.189043
C 4.020990 -1.665217 -1.293669
C -4.543207 -1.392363 0.393317
C 4.457156 1.359022 -0.548745
C 0.108643 -0.251732 -0.572212
C -0.079209 0.204460 0.740446
C -5.404660 -2.502315 -0.247271
C 5.312446 2.560613 -0.091452
H -4.261773 -0.346308 -1.491958
H -5.583239 0.303916 -0.499774
H 5.618184 -0.189233 0.457239
H 4.325266 0.517769 1.451019
H -3.857390 0.693720 2.232872
H -5.097465 1.773299 1.507940
H -3.431939 2.368228 1.820824
H -4.808588 2.640667 -0.886645
H -3.101804 3.101489 -0.591771
H -3.510793 1.997583 -1.940282
H 3.667817 -1.772566 2.200024
H 4.949170 -2.483571 1.173102
H 3.254026 -3.042133 1.008489
H 5.099080 -1.909581 -1.320033
H 3.444466 -2.586447 -1.485275
H 3.792964 -0.961000 -2.109469
H -3.502021 -1.752937 0.508715
H -4.918055 -1.179875 1.412894
H 4.774829 1.047455 -1.562223
H 3.397268 1.670083 -0.633476
H -6.455289 -2.174816 -0.364452
H -5.404215 -3.418487 0.371029
H -5.022916 -2.771481 -1.250147
H 4.985339 2.926165 0.900247
H 5.235153 3.402374 -0.803561
H 6.380828 2.283199 -0.011455


