%chk=000145805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145805

0 1
 S   -3.836800       1.514600      0.1162000    
 O    1.093000     -0.9542000       1.290000    
 O  -0.7675000      -1.656500      0.3260000    
 N    1.226300     -0.1526000      0.1553000    
 N    5.012100     -0.1896000      0.3020000    
 C    2.638700      0.4129000      0.2143000    
 C   0.2100000      0.8950000      0.1018000    
 C    3.651900     -0.7129000      0.3126000    
 C   -1.172100      0.6367000      0.1123000    
 C    1.143500      -1.102800      -1.031400    
 C   -2.075200       1.702500      8.4100001E-02
 C   0.6895000       2.203500      6.1500002E-02
 C    5.944400      -1.163500      0.8734000    
 C    5.418900      0.1633000      -1.059500    
 C   -1.577000       3.016200      4.5600001E-02
 C   -1.609200     -0.7787000      0.1541000    
 C  -0.2048000       3.265500      3.3100002E-02
 C   -3.028700      -1.168800     -1.5799999E-02
 C   -4.066600     -0.2341000     -5.3599998E-02
 C    5.984300      -2.436500      4.5200001E-02
 C    6.810600      0.7725000      -1.076300    
 C   -2.474800       4.217300      1.8999999E-02
 C   -3.320700      -2.538500     -0.1418000    
 C   -5.386400     -0.6885000     -0.2178000    
 C   -4.634700      -2.974300     -0.3059000    
 C   -5.668900      -2.048500     -0.3444000    
 H    2.712400       1.033400       1.116600    
 H    2.789300      0.9843000     -0.7067000    
 H    3.478000      -1.243100       1.257900    
 H    3.522100      -1.454800     -0.4802000    
 H    1.376000      -2.124900     -0.7160000    
 H   0.1925000      -1.031100      -1.564200    
 H    1.882100     -0.7700000      -1.770300    
 H    1.726000       2.513500      4.9199998E-02
 H    5.349800     -0.6618000      -1.777200    
 H    4.752700      0.9426000      -1.446200    
 H    6.950700     -0.7481000      0.9925000    
 H    5.631800      -1.409900       1.896500    
 H   0.1824000       4.280700      3.1000001E-03
 H    6.644000      -3.154600      0.5479000    
 H    6.407300      -2.295300     -0.9530000    
 H    6.994000       1.239900      -2.050400    
 H    7.598300      2.6600000E-02 -0.9341000    
 H    6.920400       1.553600     -0.3161000    
 H    5.015200      -2.935000     -4.3099999E-02
 H   -3.115400       4.206000     -0.8691000    
 H   -3.090100       4.264100      0.9238000    
 H   -1.904700       5.152800     -2.0099999E-02
 H   -2.533200      -3.288000     -0.1188000    
 H   -6.217300      1.4100000E-02 -0.2483000    
 H   -4.847900      -4.034600     -0.4036000    
 H   -6.694800      -2.381400     -0.4712000    


%chk=000145805-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145805

0 1
S -3.792634 1.369012 0.062317
O 0.396522 -1.011128 -0.712316
O -1.698087 -0.844316 -2.457177
N 1.069671 0.153907 -1.294578
N 4.451456 -0.618498 0.354302
C 2.379648 0.357743 -0.518403
C 0.140245 1.334959 -1.097658
C 3.186067 -0.945770 -0.345037
C -1.196291 0.951232 -0.909526
C 1.309944 -0.087637 -2.784773
C -2.124222 1.916432 -0.471914
C 0.550019 2.672629 -1.018351
C 4.796261 -1.550724 1.458628
C 5.559845 -0.278907 -0.572978
C -1.764417 3.293483 -0.379985
C -1.604156 -0.471174 -1.234493
C -0.428241 3.645609 -0.689025
C -2.409443 -1.135991 -0.155487
C -3.445217 -0.402026 0.477967
C 5.216337 -2.984234 1.034911
C 6.739485 0.429995 0.117825
C -2.767556 4.339132 0.061358
C -2.231824 -2.500466 0.172084
C -4.301438 -1.022104 1.417166
C -3.074244 -3.124950 1.113727
C -4.112568 -2.385297 1.732218
H 2.095420 0.738626 0.473940
H 2.975488 1.123777 -1.048382
H 2.576470 -1.638248 0.257149
H 3.362995 -1.444021 -1.324952
H 1.945392 -0.979060 -2.882728
H 0.320983 -0.279193 -3.228662
H 1.793002 0.798308 -3.232731
H 1.590817 2.973451 -1.171397
H 5.936689 -1.178190 -1.122575
H 5.146493 0.399260 -1.345122
H 5.603917 -1.091934 2.058230
H 3.914317 -1.609765 2.123561
H -0.133438 4.698793 -0.623272
H 5.415037 -3.602752 1.929790
H 6.135288 -2.977034 0.420729
H 7.479457 0.759404 -0.634434
H 7.262738 -0.234437 0.828306
H 6.381676 1.315165 0.672947
H 4.417498 -3.479419 0.452780
H -3.616792 4.407706 -0.644832
H -3.196020 4.083432 1.049127
H -2.302421 5.336371 0.130868
H -1.428345 -3.048177 -0.330023
H -5.098755 -0.447308 1.900701
H -2.929820 -4.181152 1.365354
H -4.771849 -2.865513 2.463727


