%chk=000064349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064349

0 1
 S   -5.793200       1.489900      0.5519000    
 N   -3.091200     -0.5053000      0.2233000    
 N   -5.083300      -1.852200      0.2706000    
 C    1.209700     -0.1321000     -0.2804000    
 C    2.947700     -9.3300000E-02   1.564200    
 C    3.486700      -1.185200     -0.6421000    
 C    3.275000       1.321600     -0.4953000    
 C    1.445900     -0.2015000       1.247000    
 C    1.983500      -1.290500     -0.9533000    
 C    1.772500       1.209400     -0.8071000    
 C    3.694200      -1.250500      0.8802000    
 C    3.483500       1.243800       1.026200    
 C    4.020000      0.1573000      -1.169000    
 C  -0.2853000     -0.2401000     -0.5923000    
 C   -1.071800      0.8697000      0.1008000    
 C   -2.563800      0.7919000     -0.2033000    
 C   -4.340300     -0.7283000     -1.4100000E-02
 C   -5.090000      0.3953000     -0.7073000    
 H    3.101800     -0.1443000       2.647900    
 H    4.022500      -2.010600      -1.124000    
 H    3.661400       2.274900     -0.8732000    
 H    1.046400      -1.139100       1.654000    
 H   0.9504000      0.6171000       1.778500    
 H    1.830000      -1.268600      -2.039900    
 H    1.602100      -2.257500     -0.6009000    
 H    1.281400       2.071500     -0.3449000    
 H    1.611400       1.292000      -1.889500    
 H    3.331800      -2.210900       1.267000    
 H    4.764400      -1.196400       1.114800    
 H    2.970800       2.079200       1.518600    
 H    4.550100       1.341800       1.263000    
 H    3.892100      0.2103000      -2.257100    
 H    5.096000      0.2366000     -0.9708000    
 H  -0.4480000     -0.1852000      -1.676300    
 H  -0.6530000      -1.221700     -0.2689000    
 H  -0.9714000      0.8071000       1.188100    
 H  -0.7357000       1.862300     -0.2097000    
 H   -3.032000       1.627400      0.3240000    
 H   -2.641600      0.9263000      -1.288000    
 H   -4.558600      0.9545000      -1.474300    
 H   -5.941300     -4.8799999E-02  -1.238200    
 H   -4.660500      -2.651900      0.7297000    
 H   -6.069700      -1.918700      4.3000001E-02
 H   -6.510200      0.5541000       1.191900    


%chk=000064349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064349

0 1
S -6.318426 1.455226 0.065903
N -3.193842 -0.338830 0.249924
N -4.964186 -1.827530 0.558093
C 1.239209 -0.016810 -0.220850
C 3.060099 -0.202925 1.570967
C 3.454642 -1.221745 -0.715127
C 3.427598 1.297341 -0.443451
C 1.530211 -0.184817 1.301761
C 1.924935 -1.198425 -0.975762
C 1.897108 1.310852 -0.705588
C 3.712254 -1.386758 0.807105
C 3.684765 1.132139 1.079739
C 4.079183 0.112344 -1.205798
C -0.283963 -0.046450 -0.525724
C -1.146671 1.047024 0.140880
C -2.634154 0.935895 -0.251378
C -4.425407 -0.678344 -0.032880
C -5.412529 0.083521 -0.907603
H 3.239972 -0.318306 2.658837
H 3.909766 -2.070479 -1.264413
H 3.869415 2.252350 -0.792721
H 1.065812 -1.124988 1.664780
H 1.067858 0.645309 1.871902
H 1.728754 -1.103872 -2.064179
H 1.471333 -2.156487 -0.646834
H 1.443277 2.174958 -0.180173
H 1.697035 1.447605 -1.789268
H 3.287141 -2.347700 1.161606
H 4.802472 -1.415810 1.008779
H 3.241304 1.984425 1.633725
H 4.774741 1.139314 1.283872
H 3.917917 0.227818 -2.297055
H 5.174972 0.106733 -1.035167
H -0.417022 0.024662 -1.628464
H -0.696490 -1.030435 -0.223003
H -1.076621 0.972638 1.242285
H -0.787606 2.054535 -0.148844
H -3.195603 1.796796 0.172854
H -2.715591 1.015698 -1.361608
H -4.891956 0.628885 -1.709692
H -6.170842 -0.577281 -1.359563
H -4.351315 -2.364908 1.169959
H -5.812163 -2.260745 0.202000
H -6.716986 0.628875 1.104973


