%chk=000021726.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021726

0 1
 S   -1.882300     -0.9292000      -1.106000    
 N    3.626900      -2.396700      0.4280000    
 N    3.821500       3.477400      5.9300002E-02
 C    3.673200       1.097200     -0.6318000    
 C    3.377700     -0.3019000     -0.2621000    
 C    3.542000       2.118000      0.5312000    
 C    2.108000     -0.9421000     -0.3162000    
 C    2.292100      -2.255300      0.1221000    
 C    4.291100      -1.221700      0.1993000    
 C    4.496600       1.802900       1.683000    
 C   0.8157000     -0.5292000     -0.6969000    
 C    1.244500      -3.179700      0.1988000    
 C  -0.2419000      -1.443200     -0.6255000    
 C  -2.8400000E-02  -2.747700     -0.1843000    
 C    2.945400       3.825400      -1.046900    
 C   -2.548000     -0.3128000      0.4655000    
 C   -3.957700      0.1919000      0.3255000    
 C   -5.020200     -0.6818000      0.5167000    
 C   -4.179700       1.525400      7.4000000E-03
 C   -6.327900     -0.2138000      0.3871000    
 C   -5.487400       1.993300     -0.1220000    
 C   -6.561400       1.123700      6.7800000E-02
 H    4.688300       1.153100      -1.049700    
 H    2.998700       1.351600      -1.457200    
 H    2.519100       2.078600      0.9295000    
 H    5.353700      -1.147800      0.3853000    
 H    4.053900      -3.245700      0.7719000    
 H    4.445800       2.577400       2.457500    
 H    5.535200       1.740300       1.339400    
 H    4.237800      0.8578000       2.170200    
 H   0.6508000      0.4894000      -1.038800    
 H    3.669900       4.131900      0.8268000    
 H    1.409700      -4.195300      0.5424000    
 H  -0.8524000      -3.456500     -0.1291000    
 H    3.271900       3.379000      -1.990800    
 H    2.989800       4.909400      -1.200700    
 H    1.897600       3.573000     -0.8522000    
 H   -1.901200      0.4885000      0.8421000    
 H   -2.512000      -1.114700       1.212500    
 H   -4.849900      -1.725800      0.7648000    
 H   -3.350800       2.211300     -0.1435000    
 H   -7.164100     -0.8908000      0.5345000    
 H   -5.669400       3.034800     -0.3708000    
 H   -7.579500       1.488100     -3.3100002E-02


%chk=000021726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021726

0 1
S -1.791541 -0.794684 -1.163044
N 3.726084 -2.592502 0.442807
N 3.628761 3.439328 -0.146826
C 3.937743 1.010344 -0.607401
C 3.579187 -0.408108 -0.242286
C 3.424995 2.079960 0.409707
C 2.254839 -1.011804 -0.296279
C 2.378802 -2.380557 0.138077
C 4.442779 -1.405095 0.211388
C 4.164324 1.967912 1.756016
C 0.976525 -0.526557 -0.681047
C 1.273579 -3.259466 0.190964
C -0.128537 -1.398746 -0.630186
C 0.018726 -2.753607 -0.200904
C 2.679376 3.859706 -1.193804
C -2.530400 -0.379413 0.576277
C -3.915004 0.195449 0.421333
C -5.054845 -0.650514 0.416530
C -4.103326 1.593367 0.260799
C -6.352181 -0.112799 0.263754
C -5.399089 2.134222 0.108159
C -6.528471 1.282254 0.109913
H 5.033896 1.131521 -0.691448
H 3.517549 1.248585 -1.604107
H 2.336847 1.880750 0.589511
H 5.517720 -1.358273 0.378415
H 4.128220 -3.470227 0.763234
H 3.743732 2.667239 2.504102
H 5.235943 2.207297 1.619881
H 4.080826 0.945111 2.160719
H 0.841163 0.505216 -1.021905
H 3.705683 4.138493 0.602505
H 1.378265 -4.301355 0.513388
H -0.861074 -3.405713 -0.195423
H 2.839070 3.278337 -2.120088
H 2.852823 4.921353 -1.444052
H 1.604727 3.740263 -0.906060
H -1.830017 0.332441 1.041951
H -2.529596 -1.322597 1.146107
H -4.920409 -1.733063 0.530462
H -3.228896 2.255397 0.253943
H -7.222778 -0.778445 0.264853
H -5.528884 3.215865 -0.011357
H -7.534438 1.700814 -0.007578


