%chk=000147492.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147492

0 1
 S    5.640200      -1.237100     -0.8191000    
 O  -0.2888000      -1.095000      -1.330700    
 O   0.9258000       3.088300       1.437500    
 O    6.896700      -1.264000      -1.544400    
 O    5.588700     -0.7580000      0.5479000    
 N  -0.4534000      0.9567000      0.5649000    
 N   -4.189700     -0.9143000      0.2385000    
 N    4.465400     -0.4414000      -1.795100    
 N    3.086900       2.553900       2.077700    
 C   -1.720200      0.3223000      0.4542000    
 C   -2.655600      0.7983000     -0.4702000    
 C   -2.020900     -0.7727000       1.270700    
 C   -3.895000      0.1407000     -0.5455000    
 C   0.7383000      0.6222000     -2.9000000E-03
 C   -3.285100      -1.368900       1.127200    
 C   -4.830400      0.6101000      -1.463800    
 C    1.949000       1.288900      0.3320000    
 C   -2.380100       1.896800      -1.303200    
 C   0.8371000     -0.4178000     -0.9673000    
 C   -1.100100      -1.272100       2.208200    
 C    3.219300     -8.5800000E-02  -1.195500    
 C    3.166400      0.9414000     -0.2532000    
 C   -4.560100       1.701400      -2.293200    
 C    2.054700     -0.7655000      -1.552600    
 C   -3.590400      -2.459400       1.937200    
 C   -3.332500       2.346400      -2.212900    
 C   -6.167700     -5.2400000E-02  -1.586900    
 C   -1.429900      -2.363500       3.006100    
 C   -2.677800      -2.958200       2.870000    
 C    1.929100       2.366900       1.313100    
 C    4.996100      -2.895100     -0.8411000    
 C  -0.1375000      -2.128600      -2.301000    
 C    3.221500       3.615400       3.093200    
 H  -0.4785000       1.767300       1.172500    
 H   -1.430900       2.425200      -1.263400    
 H  -0.1186000     -0.8275000       2.348800    
 H    4.080600       1.483900     -2.6200000E-02
 H    2.161900      -1.554700      -2.289400    
 H   -5.298400       2.058700      -3.006100    
 H   -4.561900      -2.942700       1.849400    
 H   -3.117400       3.195300      -2.854600    
 H   -6.794800      0.4255000      -2.347300    
 H   -6.047500      -1.102200      -1.874800    
 H   -6.708600      1.7000000E-03 -0.6362000    
 H  -0.7178000      -2.746100       3.730800    
 H   -2.945400      -3.810300       3.488000    
 H    4.380100     -0.7998000      -2.755700    
 H    3.858900       1.899300       2.006400    
 H    4.026200      -2.912800     -0.3414000    
 H    4.912900      -3.231100      -1.876300    
 H    5.698200      -3.534700     -0.3013000    
 H   0.2027000      -1.733200      -3.264200    
 H   -1.131100      -2.557600      -2.468900    
 H   0.4985000      -2.940400      -1.931600    
 H    2.593400       4.469400       2.829700    
 H    4.271600       3.911800       3.137200    
 H    2.907100       3.202300       4.054400    


%chk=000147492-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000147492

0 1
S 5.772857 -0.774501 0.656548
O -0.439975 -1.246098 -2.033137
O 1.157530 2.365868 1.170319
O 6.018413 0.849471 0.885172
O 3.875370 -0.863553 0.453589
N -0.256240 0.654380 -0.059514
N -4.294138 -0.788871 0.269475
N 4.446964 -1.170065 -2.539132
N 3.461061 2.187169 1.198804
C -1.572328 0.128278 0.016995
C -2.660166 0.981898 -0.342927
C -1.845588 -1.169431 0.554557
C -4.019994 0.473243 -0.187672
C 0.902639 0.117721 -0.589109
C -3.240585 -1.587789 0.634461
C -5.146323 1.320829 -0.540998
C 2.157212 0.634080 -0.206330
C -2.460109 2.303565 -0.870642
C 0.849151 -0.907105 -1.672191
C -0.828794 -2.061546 1.041185
C 3.306337 -0.895181 -1.931491
C 3.419333 0.005623 -0.709056
C -4.892545 2.603534 -1.029472
C 1.983811 -1.384048 -2.295556
C -3.543401 -2.901365 1.139932
C -3.554809 3.095742 -1.200253
C -6.552945 0.792608 -0.368164
C -1.160850 -3.318521 1.540511
C -2.531014 -3.750190 1.577033
C 2.238548 1.755308 0.757452
C 5.581603 -1.455602 2.423133
C -0.642071 -2.239764 -3.094039
C 3.550946 3.328423 2.119783
H -0.001656 1.521387 0.525838
H -1.440248 2.673947 -1.013421
H 0.217794 -1.740512 1.037490
H 4.214785 0.751536 -0.900061
H 1.910806 -2.102681 -3.118964
H -5.736869 3.250839 -1.295084
H -4.599086 -3.187959 1.175668
H -3.401426 4.104658 -1.598853
H -7.299510 1.544458 -0.677090
H -6.702916 -0.128861 -0.958847
H -6.740736 0.509762 0.683166
H -0.374905 -3.981820 1.918344
H -2.774718 -4.744663 1.967349
H 4.326467 -1.838970 -3.331058
H 4.342384 1.680761 0.996692
H 5.223171 -2.492575 2.351879
H 6.569696 -1.393418 2.902973
H 4.844180 -0.804864 2.912868
H -0.233866 -1.874383 -4.055304
H -1.732254 -2.356513 -3.164285
H -0.172524 -3.202941 -2.820371
H 3.027470 3.119734 3.071153
H 3.080379 4.224860 1.679439
H 4.614883 3.531307 2.320811


