%chk=000003290.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003290

0 1
 S    3.018900      0.6105000      -1.174000    
 N   -3.258400     -0.3276000      0.1418000    
 N   0.4603000     -7.7399999E-02  0.4522000    
 C   -1.900300      5.2400000E-02 -0.2519000    
 C  -0.9181000     -0.4203000      0.8250000    
 C   -1.596700     -0.5587000      -1.619800    
 C   -3.377100      -1.782300      0.2231000    
 C   -4.233300      0.2142000     -0.8032000    
 C    1.368200      -1.148000      0.2524000    
 C   0.7960000       1.298600      0.3869000    
 C    2.575000     -0.9554000     -0.4489000    
 C    1.946100       1.733700     -0.3009000    
 C   -4.739600      -2.191600      0.6803000    
 C   -4.127500       1.701600     -0.9000000    
 C    1.128300      -2.438800      0.7723000    
 C   2.2500001E-02   2.288400       1.032100    
 C    3.475600      -2.018800     -0.6374000    
 C    2.279000       3.098900     -0.3554000    
 C    2.029200      -3.490900      0.5864000    
 C   0.3607000       3.643500      0.9790000    
 C    3.202600      -3.281500     -0.1219000    
 C    1.488400       4.049500      0.2819000    
 H   -1.820200       1.136200     -0.3357000    
 H   -1.169100     -1.6799999E-02   1.814300    
 H   -1.027400      -1.486100      0.9395000    
 H   -1.448300      -1.642900      -1.595700    
 H   -2.313700     -0.3155000      -2.406400    
 H  -0.6481000     -0.1490000      -1.990600    
 H   -3.188700      -2.297300     -0.7243000    
 H   -2.717600      -2.216500      0.9760000    
 H   -4.227200     -0.2533000      -1.793300    
 H   -5.240600      3.5700001E-02 -0.4080000    
 H   -5.056800      -1.641800       1.573700    
 H   -5.503000      -2.070300     -9.4999999E-02
 H   -4.741600      -3.256100      0.9441000    
 H   -4.038300       2.178800      8.2599998E-02
 H   -3.294900       2.030200      -1.530300    
 H   -5.034400       2.106600      -1.364800    
 H   0.2816000      -2.684000       1.404400    
 H  -0.8592000       2.040000       1.615900    
 H    4.402700      -1.873500      -1.188400    
 H    3.160800       3.436800     -0.8961000    
 H    1.817700      -4.467900       1.011400    
 H  -0.2582000       4.376700       1.488100    
 H    3.906800      -4.094800     -0.2675000    
 H    1.755000       5.100900      0.2367000    


%chk=000003290-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003290

0 1
S 2.850140 0.374004 -1.600262
N -3.338693 -0.409156 -0.194043
N 0.443422 -0.222069 0.190480
C -1.944885 -0.117993 -0.638616
C -0.959229 -0.609607 0.463063
C -1.560622 -0.667513 -2.037577
C -3.774873 -1.825359 -0.322408
C -4.340096 0.565036 -0.703275
C 1.485588 -1.194568 0.298480
C 0.776084 1.166275 0.129155
C 2.697163 -1.035681 -0.431481
C 1.913577 1.603284 -0.605631
C -4.789553 -2.227198 0.767408
C -4.306851 1.913226 0.044048
C 1.366401 -2.330635 1.145773
C 0.001969 2.149696 0.804875
C 3.745142 -1.970428 -0.325633
C 2.282742 2.961842 -0.644666
C 2.399015 -3.290616 1.220233
C 0.349335 3.516046 0.735113
C 3.593794 -3.117923 0.487033
C 1.492172 3.930988 0.015820
H -1.864513 0.983485 -0.683255
H -1.321671 -0.241720 1.443888
H -0.996196 -1.710785 0.494975
H -1.573763 -1.772902 -2.060300
H -2.260331 -0.297781 -2.809623
H -0.542371 -0.338466 -2.311052
H -4.207538 -2.037794 -1.330776
H -2.885854 -2.476081 -0.228594
H -4.222172 0.741761 -1.801142
H -5.341501 0.116374 -0.569274
H -4.344086 -2.099803 1.769609
H -5.702876 -1.605926 0.724107
H -5.096245 -3.283211 0.644181
H -4.482227 1.753338 1.122465
H -3.334444 2.426146 -0.072782
H -5.088422 2.591898 -0.346652
H 0.472987 -2.457385 1.764650
H -0.869558 1.846606 1.392826
H 4.668839 -1.807441 -0.891088
H 3.175557 3.259907 -1.204605
H 2.273911 -4.163226 1.870684
H -0.270229 4.253684 1.256926
H 4.400151 -3.855524 0.550335
H 1.767906 4.989297 -0.032794


