%chk=000078884.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078884

1 1
 S   3.7599999E-02  -3.250900     -3.2900002E-02
 O   8.0799997E-02  -4.452400      -1.135200    
 O  -0.5957000      -3.747600       1.174900    
 O    1.335900      -2.603000      1.6000000E-03
 O    2.371800       1.554300      -1.572600    
 N   -2.848200       1.086700      0.2043000    
 N    1.366900       2.220200      0.3952000    
 C   -2.471100     -6.4599998E-02 -0.7167000    
 C   -1.588100       1.816800      0.6464000    
 C   -3.573800      0.5419000       1.426100    
 C   -3.760000       2.052900     -0.5383000    
 C   -1.508300      -1.015900     -1.9300001E-02
 C  -0.8901000       2.390600     -0.5799000    
 C   -1.098600      -2.200500     -0.8838000    
 C   0.4122000       3.099300     -0.2226000    
 C    2.294200       1.499200     -0.3460000    
 C    3.213700      0.6293000      0.4630000    
 C    2.777600      3.0400001E-02   1.765500    
 C    4.443300      0.4131000     -2.9700000E-02
 H   -3.403200     -0.5905000     -0.9610000    
 H   -2.078600      0.3184000      -1.662600    
 H  -0.9653000       1.156600       1.254500    
 H   -1.910800       2.632900       1.306000    
 H   -2.866800      3.3700000E-02   2.086100    
 H   -4.008700       1.390400       1.964500    
 H   -4.367500     -0.1347000       1.096000    
 H   -3.862000       2.969700      5.0000001E-02
 H   -4.738100       1.572700     -0.6480000    
 H   -3.361200       2.257600      -1.535100    
 H  -0.5786000     -0.5112000      0.2561000    
 H   -1.942800      -1.413700      0.9024000    
 H  -0.6293000       1.621400      -1.310400    
 H   -1.513300       3.133900      -1.086400    
 H  -0.6161000      -1.865400      -1.807400    
 H   -1.976900      -2.802500      -1.138300    
 H   0.2191000       3.914800      0.4829000    
 H   0.8543000       3.539000      -1.123800    
 H    1.352700       2.144800       1.407300    
 H   0.5389000      -4.235600      -1.981100    
 H    2.776200      0.7888000       2.554900    
 H    1.767500     -0.3825000       1.680400    
 H    3.437600     -0.7839000       2.083100    
 H    5.158700     -0.2042000      0.5044000    
 H    4.776700      0.8448000     -0.9677000    


%chk=000078884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078884

1 1
S 0.229328 -3.204809 0.321978
O 1.523832 -3.662057 -0.914008
O -0.742319 -4.464797 0.606330
O 0.860520 -2.390754 1.573796
O 0.828902 0.949495 -1.321092
N -2.828732 1.167335 0.057814
N 1.302984 2.131849 0.630708
C -2.168316 0.044132 -0.794251
C -1.750020 2.046059 0.755051
C -3.730558 0.564296 1.133458
C -3.690515 2.025424 -0.867343
C -1.545715 -1.084847 0.047992
C -0.966316 2.965622 -0.197458
C -0.627936 -1.937867 -0.840437
C 0.449269 3.305293 0.341348
C 1.546358 1.097234 -0.265719
C 2.675132 0.164814 0.086557
C 3.223504 0.138603 1.501512
C 3.153148 -0.633118 -0.907673
H -2.964446 -0.343056 -1.454371
H -1.385538 0.528819 -1.402588
H -1.064893 1.346691 1.262097
H -2.288769 2.623514 1.527037
H -3.114270 0.057933 1.889491
H -4.304497 1.374606 1.608527
H -4.420708 -0.155629 0.667162
H -4.065263 2.895747 -0.306882
H -4.537070 1.419825 -1.225963
H -3.087962 2.362483 -1.721812
H -0.922797 -0.670688 0.863236
H -2.323762 -1.723040 0.504408
H -0.813662 2.486943 -1.177046
H -1.500658 3.920388 -0.351285
H 0.199586 -1.359348 -1.282071
H -1.141026 -2.572087 -1.579239
H 0.377490 3.892472 1.274937
H 0.937447 3.949928 -0.415718
H 1.943517 2.219685 1.422976
H 1.957893 -4.515553 -0.621127
H 3.664807 1.108642 1.808934
H 2.440221 -0.141923 2.230305
H 4.026379 -0.610698 1.585902
H 3.972215 -1.336329 -0.729533
H 2.735815 -0.586132 -1.919138


