%chk=000128066.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128066

0 1
 S   -4.071800     -0.5232000      0.1726000    
 S   0.5647000      -2.955000      0.3158000    
 N  -0.1306000       3.198900     -0.8651000    
 N    1.294800       2.290300      0.5752000    
 N   -2.388700      -2.500700     -0.3035000    
 N   -3.968700      -1.946500      -2.032900    
 C   -3.178900       2.014000      0.7279000    
 C   -2.328300       3.241600      0.3768000    
 C   -3.057900      0.8937000     -0.3049000    
 C  -0.8563000       2.931900      0.2615000    
 C   4.4700000E-02   2.371100       1.136000    
 C  -0.8348000      -3.059800       1.465700    
 C   0.9769000      -1.212000      0.5602000    
 C   -1.954900      -2.125500       1.036100    
 C    2.380600     -0.8943000      0.1242000    
 C    1.154700       2.796600     -0.6297000    
 C   -3.360500      -1.819800     -0.8098000    
 C    2.629700     -0.4961000      -1.189300    
 C    3.433600     -0.9974000       1.033300    
 C    3.931600     -0.2012000      -1.593800    
 C    4.735500     -0.7023000      0.6287000    
 C    4.984500     -0.3042000     -0.6849000    
 H   -4.225100       2.334800      0.8115000    
 H   -2.877900       1.641600       1.716000    
 H   -2.691000       3.677400     -0.5625000    
 H   -2.462000       4.004900       1.152800    
 H   -2.018800      0.5709000     -0.4110000    
 H   -3.393000       1.246200      -1.286100    
 H  -0.4775000       3.616600      -1.718400    
 H  -0.1408000       2.019400       2.140600    
 H  -0.4964000      -2.825300       2.480100    
 H   -1.185800      -4.097300       1.467200    
 H   0.2769000     -0.5934000     -1.1300000E-02
 H   0.8611000     -0.9395000       1.615700    
 H   -2.761700      -2.279400       1.765200    
 H   -1.606800      -1.091800       1.114300    
 H    1.933600       2.899900      -1.371600    
 H    1.818300     -0.4121000      -1.907500    
 H    3.253100      -1.306900       2.059300    
 H    4.125400      0.1092000      -2.616400    
 H    5.555500     -0.7824000       1.336400    
 H    5.998200     -7.4299999E-02 -0.9997000    
 H   -3.669100      -2.650100      -2.699000    
 H   -4.733400      -1.338700      -2.305700    


%chk=000128066-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128066

0 1
S -3.986466 -0.268663 -1.239988
S 0.507396 -3.106874 1.656477
N 0.193323 2.607672 0.002357
N 0.739455 1.831962 2.049418
N -1.692716 -1.880100 -0.514375
N -2.913759 -2.464870 -2.434162
C -3.295140 2.203410 0.003667
C -2.256474 3.337759 0.270398
C -2.843786 1.251991 -1.115930
C -0.947239 2.812190 0.801225
C -0.577985 2.326667 2.061470
C -1.131345 -2.187219 1.888575
C 1.738585 -1.667794 1.794629
C -1.507809 -1.199854 0.768765
C 2.413718 -1.260832 0.493021
C 1.180200 2.021164 0.788773
C -2.661304 -1.657154 -1.338606
C 1.768500 -1.365836 -0.765964
C 3.716495 -0.696739 0.546267
C 2.405082 -0.895148 -1.937618
C 4.352834 -0.224736 -0.624659
C 3.695632 -0.317969 -1.874430
H -4.271581 2.656964 -0.254063
H -3.439384 1.627870 0.936700
H -2.094913 3.921110 -0.658337
H -2.692061 4.038810 1.006047
H -1.829956 0.865985 -0.925662
H -2.857151 1.747835 -2.101950
H 0.278819 2.849553 -0.984463
H -1.174801 2.303919 2.971074
H -1.078444 -1.649114 2.851645
H -1.880896 -2.993249 1.968532
H 1.185446 -0.807090 2.219089
H 2.488380 -1.973547 2.543602
H -2.429333 -0.656432 1.084952
H -0.700105 -0.444345 0.683663
H 2.161163 1.743953 0.410696
H 0.779962 -1.838445 -0.824575
H 4.231975 -0.621423 1.512089
H 1.896124 -0.991313 -2.904286
H 5.360633 0.202307 -0.563041
H 4.190488 0.036268 -2.786190
H -2.377284 -3.325332 -2.538111
H -3.561577 -2.163511 -3.156721


