%chk=000158484.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158484

0 1
 S   -5.499200      0.2294000      -1.031800    
 O    3.222900     -0.7593000      -1.910800    
 O    2.339900       2.473700     -0.2786000    
 O   0.4002000      -3.977100      0.7374000    
 O   -1.629400      0.6392000      -1.044600    
 O    1.644400       3.992600       1.305500    
 N    3.509200     -2.9200001E-02   1.772400    
 N    2.135200      -1.782600     -6.3800000E-02
 N   -3.419400      -1.233000     -0.2508000    
 N    3.484000       4.406000     -1.0500000E-02
 N   -3.621800      0.9699000      0.5838000    
 C    3.715400     -9.0899996E-02  0.3275000    
 C    2.641900     -0.5118000     -0.6302000    
 C    4.014400      -1.266800       1.204200    
 C    3.052400      -2.379300      0.8986000    
 C    1.355900      0.3606000     -0.8017000    
 C   0.7610000      -1.792000     -5.7399999E-02
 C   0.2575000     -0.6349000     -0.4847000    
 C    1.277400       1.606600      7.4000001E-02
 C  -8.1900001E-02  -2.913000      0.3650000    
 C   -1.185300     -0.4139000     -0.5982000    
 C    3.581600      0.4519000      -2.556500    
 C   -1.565000      -2.690000      0.3021000    
 C   -2.087400      -1.528500     -0.1485000    
 C   -2.381000      -3.864300      0.7737000    
 C    2.419200       3.652500      0.4177000    
 C   -4.049400     -3.1500001E-02 -0.1521000    
 C   -4.499100       2.028200      0.4495000    
 C   -5.577000       1.815600     -0.3842000    
 C   -4.216400       3.271900       1.193200    
 H    4.541600      0.4870000     -5.3300001E-02
 H    5.030300      -1.549600       1.424700    
 H    2.524800     -0.1335000       2.012000    
 H    3.573500      -3.225700      0.4407000    
 H    2.546000      -2.715400       1.809500    
 H    1.204800      0.6644000      -1.842200    
 H    1.306800       1.368000       1.141700    
 H   0.3311000       2.128800     -0.1138000    
 H    3.928200       1.247800      -1.895100    
 H    2.760700      0.8142000      -3.181800    
 H    4.404800      0.2202000      -3.240300    
 H   -3.454600      -3.658100      0.7991000    
 H   -2.087900      -4.147400       1.790500    
 H   -2.224000      -4.724300      0.1141000    
 H   -3.996800      -2.037000     -0.4840000    
 H    4.098100       4.080200     -0.7495000    
 H    3.690000       5.310900      0.3991000    
 H   -6.382000       2.490800     -0.6379000    
 H   -4.523500       3.166000       2.238200    
 H   -3.145600       3.498900       1.171300    
 H   -4.749000       4.126700      0.7639000    


%chk=000158484-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158484

0 1
S -5.513898 0.375966 -1.281047
O 3.384762 -0.807627 -1.770821
O 2.365454 2.605287 -0.565811
O 0.387519 -3.990889 0.818808
O -1.653110 0.680737 -1.297499
O 1.606429 4.299857 0.890378
N 3.243140 -0.207879 2.032987
N 2.120704 -1.771253 -0.032068
N -3.449250 -1.285960 -0.323336
N 3.443767 4.611827 -0.539184
N -3.824767 0.856532 0.738548
C 3.662338 -0.091621 0.579101
C 2.660992 -0.473161 -0.525692
C 3.963936 -1.362469 1.367255
C 3.099166 -2.503283 0.801047
C 1.384334 0.406031 -0.820460
C 0.744384 -1.753815 -0.022565
C 0.240254 -0.546299 -0.487462
C 1.270068 1.733059 -0.060315
C -0.127708 -2.906975 0.368957
C -1.168539 -0.338236 -0.694122
C 4.161675 0.293949 -2.362782
C -1.574970 -2.697970 0.245107
C -2.071275 -1.472190 -0.201239
C -2.488790 -3.827170 0.673231
C 2.403675 3.893819 0.012373
C -4.109198 -0.059239 -0.167487
C -4.650937 1.987791 0.632923
C -5.626218 1.910068 -0.352540
C -4.437747 3.138596 1.579192
H 4.400659 0.684016 0.373833
H 4.954894 -1.596239 1.762165
H 2.226918 -0.401766 2.143700
H 3.714688 -3.176525 0.177226
H 2.575714 -3.105839 1.560562
H 1.377222 0.634846 -1.903167
H 1.380849 1.617315 1.031701
H 0.297927 2.208418 -0.274164
H 5.111265 0.460382 -1.817270
H 3.583427 1.237376 -2.386392
H 4.387912 -0.034367 -3.389292
H -3.219173 -3.495588 1.436304
H -1.882754 -4.640973 1.102239
H -3.054783 -4.256597 -0.178813
H -4.030657 -2.126284 -0.369329
H 4.029801 4.208534 -1.265388
H 3.595888 5.564349 -0.220402
H -6.400495 2.634713 -0.594944
H -4.509115 2.798409 2.627760
H -3.428123 3.565238 1.440532
H -5.180754 3.935998 1.414762


