%chk=000065881.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065881

0 1
 S   0.2864000      0.6195000       1.119500    
 O   0.3312000       1.856700       1.959000    
 N   -2.505900     -0.8853000     -0.8086000    
 N    3.063300      0.4493000       1.389800    
 N    2.280500     -0.1713000     -0.5957000    
 C   -3.610100      -2.375600      0.8224000    
 C   -2.290200      -1.814800      0.2752000    
 C   -2.840800      0.4542000     -0.5669000    
 C   -1.850300       1.432000     -0.4130000    
 C   -4.419400      -3.097700     -0.2562000    
 C   -3.390400      -3.287500       2.030800    
 C  -0.4023000       1.074600     -0.5029000    
 C   -2.354300      -1.365600      -2.183000    
 C   -4.187800      0.8244000     -0.4765000    
 C   -2.202200       2.760200     -0.1727000    
 C    2.010700      0.2675000      0.5828000    
 C   -4.539700       2.152700     -0.2363000    
 C   -3.547000       3.120400     -8.4399998E-02
 C    4.165500      8.7499999E-02  0.6585000    
 C    3.650600     -0.2959000     -0.5767000    
 C    5.527200      6.3800000E-02  0.9622000    
 C    4.531900     -0.7320000      -1.580500    
 C    6.390000     -0.3728000     -4.8599999E-02
 C    5.903100     -0.7642000      -1.297900    
 H   -4.223500      -1.538700       1.179500    
 H   -1.759500      -1.326200       1.098000    
 H   -1.640900      -2.639600     -4.4900000E-02
 H   -3.837800      -3.906600     -0.7112000    
 H   -5.326300      -3.538600      0.1723000    
 H   -4.741500      -2.416800      -1.049000    
 H   -2.799300      -4.167900       1.757100    
 H   -4.345800      -3.633100       2.439600    
 H   -2.858600      -2.755500       2.826500    
 H  -0.2300000      0.2512000      -1.200100    
 H   0.1741000       1.925200     -0.8869000    
 H   -1.571000     -0.8104000      -2.708100    
 H   -3.291700      -1.237200      -2.734800    
 H   -2.090400      -2.427700      -2.218400    
 H   -4.975700      8.5900001E-02 -0.5998000    
 H   -1.440200       3.525500     -5.1100001E-02
 H   -5.586600       2.433500     -0.1692000    
 H   -3.821000       4.154600      0.1025000    
 H    3.061500      0.7841000       2.344800    
 H    5.902500      0.3680000       1.932600    
 H    4.163700      -1.038000      -2.554500    
 H    7.459700     -0.4080000      0.1428000    
 H    6.598500      -1.098900      -2.063400    


%chk=000065881-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065881

0 1
S -0.018266 0.560944 1.535271
O 0.487414 1.943821 2.367304
N -2.566860 -0.621166 -1.523443
N 2.744541 0.673442 1.327490
N 1.889039 -1.105926 0.159172
C -2.473907 -2.058721 0.617930
C -1.809448 -1.625937 -0.719490
C -3.024249 0.591261 -0.947119
C -2.138718 1.509409 -0.270310
C -3.902307 -2.613237 0.418485
C -1.562005 -3.093333 1.319370
C -0.668873 1.331986 -0.251051
C -3.314004 -1.165496 -2.674249
C -4.393209 0.976701 -1.089536
C -2.675019 2.689845 0.318840
C 1.631885 -0.040646 0.919842
C -4.889910 2.167326 -0.527660
C -4.036240 3.025881 0.205750
C 3.856319 0.017726 0.779711
C 3.305778 -1.097743 0.045450
C 5.242800 0.266776 0.842432
C 4.164094 -1.983811 -0.643796
C 6.079811 -0.631694 0.147972
C 5.550540 -1.737242 -0.582443
H -2.544255 -1.161547 1.267698
H -0.779308 -1.282920 -0.508851
H -1.694967 -2.520461 -1.361380
H -3.898122 -3.485444 -0.264352
H -4.327835 -2.944777 1.383786
H -4.579688 -1.846510 0.001587
H -1.508295 -4.030992 0.732346
H -1.953282 -3.345690 2.321732
H -0.529781 -2.714092 1.437796
H -0.272401 0.643873 -1.009550
H -0.106543 2.277354 -0.203398
H -3.610157 -0.345299 -3.350587
H -4.227279 -1.736444 -2.396239
H -2.651592 -1.845732 -3.238057
H -5.083637 0.313952 -1.620464
H -1.986376 3.362339 0.844490
H -5.950705 2.416426 -0.647188
H -4.421989 3.944618 0.658644
H 2.650831 1.509835 1.917161
H 5.657240 1.111942 1.400763
H 3.754031 -2.830689 -1.201967
H 7.164117 -0.477501 0.170241
H 6.240992 -2.407505 -1.105534


