%chk=000149246.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149246

0 1
 S   -5.648900      0.4243000      0.5313000    
 O   -7.150600     -0.1250000      0.8531000    
 O   -5.641500       1.013500     -0.7952000    
 O   -5.161000       1.152500       1.688400    
 N   0.5004000     -0.2924000      -1.307300    
 N    4.067600      0.4832000      0.7523000    
 C    1.709700     -2.9200001E-02 -0.6084000    
 C    2.515300      -1.093900     -0.1920000    
 C    2.084300       1.292000     -0.3436000    
 C    3.702200     -0.7875000      0.4947000    
 C    3.288100       1.505000      0.3491000    
 C  -0.8144000     -0.5020000     -0.8711000    
 C   -3.441200     -0.9201000      6.0000003E-04
 C    2.163500      -2.431400     -0.4446000    
 C    1.294100       2.381200     -0.7503000    
 C   -4.840600      -1.144000      0.4650000    
 C   -1.119600     -0.4706000      0.4945000    
 C   -1.836000     -0.7443000      -1.796600    
 C    4.508600      -1.843300      0.9116000    
 C    3.666400       2.818300      0.6156000    
 C   -2.428500     -0.6791000      0.9288000    
 C   -3.145100     -0.9527000      -1.362100    
 C    2.987000      -3.468600     -1.7200001E-02
 C    1.694800       3.684400     -0.4716000    
 C    4.161900      -3.173400      0.6623000    
 C    2.883600       3.903000      0.2128000    
 H   0.6301000     -0.3319000      -2.314000    
 H    1.254300      -2.697400     -0.9775000    
 H   0.3613000       2.246100      -1.291600    
 H   -4.874900      -1.599600       1.459400    
 H   -5.388100      -1.788300     -0.2306000    
 H  -0.3510000     -0.2850000       1.240400    
 H   -1.620400     -0.7728000      -2.861900    
 H    5.434500      -1.638000       1.446000    
 H    4.593700       3.015600       1.150400    
 H   -2.646200     -0.6513000       1.993200    
 H   -3.924500      -1.140400      -2.096000    
 H    2.713700      -4.500600     -0.2144000    
 H    1.083400       4.524000     -0.7877000    
 H    4.811900      -3.975300       1.000000    
 H    3.205700       4.916000      0.4351000    
 H   -7.604300     -0.5820000      0.1063000    


%chk=000149246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149246

0 1
S -5.763661 1.060159 -0.063491
O -7.434773 0.602720 0.687527
O -5.925370 1.211886 -1.670665
O -5.124609 2.299314 0.764825
N 0.543679 -0.916671 -1.163673
N 4.145814 0.527782 0.711452
C 1.704776 -0.420566 -0.505448
C 2.807140 -1.310374 -0.303474
C 1.827705 0.950738 -0.116914
C 4.026743 -0.770019 0.289715
C 3.075385 1.363411 0.525662
C -0.790670 -0.859086 -0.732230
C -3.533138 -0.820888 0.067584
C 2.765932 -2.709769 -0.637119
C 0.821641 1.949389 -0.366184
C -4.940915 -0.769562 0.468818
C -1.154467 -0.416783 0.574981
C -1.815985 -1.289892 -1.628640
C 5.160894 -1.638728 0.464650
C 3.217967 2.729211 0.958893
C -2.502641 -0.393218 0.955619
C -3.159347 -1.267612 -1.234398
C 3.881968 -3.521643 -0.446744
C 1.005022 3.264665 0.051021
C 5.096278 -2.978808 0.096993
C 2.206362 3.656752 0.736432
H 0.716371 -1.490666 -1.992465
H 1.836527 -3.151786 -1.013330
H -0.094669 1.673675 -0.894715
H -5.155070 -0.725152 1.545505
H -5.645052 -1.409594 -0.080546
H -0.380680 -0.101767 1.279864
H -1.546943 -1.623519 -2.638241
H 6.061725 -1.197090 0.901228
H 4.156995 2.996720 1.452563
H -2.770574 -0.040220 1.958013
H -3.935986 -1.582385 -1.940467
H 3.832968 -4.586553 -0.698789
H 0.228509 4.010758 -0.148278
H 5.964841 -3.631668 0.234851
H 2.325209 4.694171 1.066967
H -8.056603 1.371672 0.539846


