%chk=000149754.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149754

0 1
 S   -3.894900       1.015100     -3.1099999E-02
 O    5.213900      0.3643000      -1.093400    
 O  -0.5273000      -1.832600     -0.2935000    
 O   -3.062800       4.223500      -1.154000    
 N    4.979100     -0.4584000     -1.3300000E-02
 N    1.271500     -0.1255000      1.1000000E-02
 C    3.567200     -0.9074000     -1.3900000E-02
 C    5.908100      -1.644000     -0.1035000    
 C    5.286400      0.3092000       1.248900    
 C    2.635600      0.2874000      7.7100001E-02
 C    5.629100      -2.438700      -1.358100    
 C    6.716600      0.7965000       1.235100    
 C   0.1924000      0.7922000      3.5399999E-02
 C   -1.157500      0.4012000     -8.6000003E-03
 C   -2.160800       1.372400      3.9500002E-02
 C   0.5409000       2.138800      0.1288000    
 C   -1.794200       2.726100      0.1319000    
 C   -1.453300      -1.047600     -0.1065000    
 C  -0.4532000       3.107000      0.1774000    
 C   -2.830200      -1.579800      2.5200000E-02
 C   -3.954900     -0.7525000      7.5700000E-02
 C   -2.805400       3.832000      0.1865000    
 C   -2.988300      -2.975000      0.1000000    
 C   -5.226200      -1.338800      0.2009000    
 C   -4.255600      -3.542200      0.2259000    
 C   -5.376000      -2.723300      0.2767000    
 H    3.372900      -1.431200     -0.9544000    
 H    3.434200      -1.599500      0.8255000    
 H    6.931100      -1.264800     -0.1639000    
 H    5.777300      -2.244600      0.8024000    
 H    4.654500       1.198400       1.270000    
 H    5.070500     -0.3383000       2.104400    
 H    2.768300      0.7977000       1.034200    
 H    2.860900      0.9880000     -0.7351000    
 H    1.062500      -1.114100     -3.1099999E-02
 H    6.447500      -3.147300      -1.528400    
 H    4.720000      -3.041100      -1.267500    
 H    5.544400      -1.816000      -2.253700    
 H    6.852600       1.539600       2.029300    
 H    7.426300     -7.6000001E-03   1.452400    
 H    7.008500       1.272000      0.2942000    
 H    1.563500       2.498400      0.1716000    
 H  -0.1698000       4.154000      0.2475000    
 H   -3.738000       3.573200      0.6944000    
 H   -2.401000       4.698100      0.7243000    
 H   -2.131100      -3.643200      6.5800004E-02
 H   -6.122300     -0.7218000      0.2399000    
 H   -4.365400      -4.620900      0.2842000    
 H   -6.366100      -3.158700      0.3739000    
 H   -3.694600       4.961900      -1.119600    


%chk=000149754-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149754

0 1
S -3.933238 1.037168 -0.250485
O 5.302331 0.590661 -0.746436
O -0.429118 -1.840817 0.162504
O -3.636842 3.859109 -1.469815
N 5.059212 -0.517430 0.109240
N 1.289954 0.035251 0.101059
C 3.553014 -0.854721 0.145599
C 5.840392 -1.771023 -0.389340
C 5.522850 -0.197370 1.565536
C 2.701617 0.422528 0.164222
C 5.649266 -1.999888 -1.889879
C 6.919799 0.424479 1.592447
C 0.256523 0.936521 0.031417
C -1.133643 0.464463 0.004838
C -2.165515 1.459776 -0.087928
C 0.520464 2.339159 -0.008587
C -1.888868 2.851049 -0.103713
C -1.401947 -0.977957 0.112292
C -0.531368 3.256011 -0.066318
C -2.786077 -1.521405 0.209882
C -3.962652 -0.738553 0.092657
C -2.980953 3.891065 -0.137878
C -2.931461 -2.922630 0.429667
C -5.247044 -1.334209 0.183363
C -4.197664 -3.518945 0.526697
C -5.363765 -2.718542 0.401765
H 3.331017 -1.418274 -0.774846
H 3.355342 -1.499196 1.023751
H 6.896865 -1.542152 -0.178937
H 5.524830 -2.636800 0.225063
H 4.783274 0.527145 1.944066
H 5.451329 -1.129971 2.158067
H 2.900423 1.022372 1.077080
H 3.016709 1.035573 -0.700957
H 0.971379 -0.960001 0.127796
H 6.424463 -2.693977 -2.260346
H 4.664276 -2.429551 -2.143237
H 5.760403 -1.024936 -2.395494
H 7.087226 0.922241 2.563993
H 7.726529 -0.315185 1.448522
H 6.966147 1.175485 0.784292
H 1.552888 2.695359 0.000818
H -0.306980 4.329167 -0.092885
H -3.733087 3.690157 0.656153
H -2.539280 4.892409 0.037420
H -2.010875 -3.507704 0.513241
H -6.143981 -0.712708 0.085107
H -4.286945 -4.596993 0.695907
H -6.357493 -3.173663 0.475221
H -4.552825 4.229554 -1.392202


