%chk=000051247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051247

0 1
 S    3.828900       1.784900      0.8494000    
 N    2.059400      0.1580000     -0.2900000    
 N  -0.2693000      0.2888000     -0.8423000    
 N   0.4846000      0.7689000       1.370900    
 N    3.473100     -0.7177000       1.390700    
 N   -4.222500       1.123500      0.2475000    
 C    2.464700     -0.2321000      -1.630200    
 C    1.740100      -1.537200      -2.028400    
 C    2.048300      0.8912000      -2.590300    
 C    3.989500     -0.3875000      -1.659000    
 C    2.059800      -2.746500      -1.155800    
 C   0.6923000      0.3976000      5.2299999E-02
 C    3.076600      0.2728000      0.6551000    
 C   -1.599000      0.5413000     -0.4697000    
 C   -2.434000     -0.4746000      1.3100000E-02
 C    4.816100       1.077400       2.060200    
 C    4.484600     -0.2530000       2.208400    
 C   -2.074700       1.838300     -0.5921000    
 C   -3.757100     -0.1345000      0.3650000    
 C   -3.383400       2.074500     -0.2228000    
 C   -1.981500      -1.798000      0.1488000    
 C   -4.587200      -1.143900      0.8448000    
 C   -2.833100      -2.787600      0.6313000    
 C   -4.137500      -2.459800      0.9797000    
 C   -3.938800       3.455000     -0.3365000    
 H    2.043600      -1.792900      -3.053600    
 H   0.6547000      -1.431700      -2.086900    
 H   0.9718000      0.9496000      -2.769000    
 H    2.376900       1.873000      -2.229400    
 H    2.507100      0.7380000      -3.574800    
 H    4.529100      0.5595000      -1.557200    
 H    4.395400      -1.118500     -0.9528000    
 H    4.284800     -0.7629000      -2.649000    
 H    3.123700      -2.997400      -1.180300    
 H    1.760800      -2.583500     -0.1164000    
 H    1.511300      -3.620900      -1.522100    
 H  -0.4433000      0.9707000       1.727000    
 H    1.237900      0.8494000       2.043700    
 H   -1.441300       2.636900     -0.9649000    
 H    5.567000       1.648200       2.587500    
 H    4.954100     -0.9343000       2.905100    
 H  -0.9676000      -2.084600     -0.1175000    
 H   -5.613400     -0.9130000       1.124600    
 H   -2.480200      -3.809200      0.7343000    
 H   -4.808900      -3.225600       1.356900    
 H   -3.900500       3.796400      -1.375900    
 H   -4.983200       3.487200     -9.1000004E-03
 H   -3.367700       4.147900      0.2894000    


%chk=000051247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051247

0 1
S 4.411535 1.786300 0.258580
N 2.168882 0.065375 -0.216076
N -0.115290 0.587668 -0.627962
N 0.623466 0.089141 1.594370
N 3.374289 -0.061152 1.891078
N -4.299033 1.112780 0.205284
C 2.473754 -0.320361 -1.673016
C 1.525168 -1.484684 -2.110034
C 2.274356 0.902021 -2.605481
C 3.938529 -0.826726 -1.769445
C 1.646047 -2.782058 -1.282904
C 0.816935 0.251563 0.237158
C 3.203594 0.410557 0.656157
C -1.480156 0.713894 -0.306187
C -2.323930 -0.417059 0.051201
C 5.118772 1.530946 1.882307
C 4.424773 0.556762 2.575980
C -2.094342 1.974554 -0.410767
C -3.727601 -0.152460 0.297617
C -3.492272 2.140481 -0.147240
C -1.842686 -1.761385 0.146998
C -4.585869 -1.242460 0.654106
C -2.705044 -2.806034 0.493738
C -4.086618 -2.543853 0.753406
C -4.126522 3.512826 -0.256120
H 1.772862 -1.697118 -3.168844
H 0.485706 -1.118294 -2.098364
H 1.228881 1.245017 -2.561884
H 2.936632 1.737991 -2.313335
H 2.524082 0.621737 -3.645518
H 4.675216 -0.007563 -1.750375
H 4.186248 -1.535368 -0.960517
H 4.053739 -1.353950 -2.732799
H 2.631970 -3.264520 -1.407914
H 1.506416 -2.589101 -0.203245
H 0.877602 -3.510292 -1.600869
H -0.296794 0.279064 1.984899
H 1.401613 -0.221768 2.186554
H -1.486545 2.837838 -0.698637
H 6.004518 2.081557 2.191479
H 4.659703 0.221647 3.586485
H -0.788206 -1.967974 -0.058541
H -5.639805 -1.010278 0.836458
H -2.323987 -3.831003 0.563059
H -4.754223 -3.369416 1.024673
H -4.025236 3.918764 -1.280399
H -5.196180 3.444590 -0.005146
H -3.642948 4.233901 0.429730


