%chk=000165452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165452

0 1
 S    4.878300       1.102000     -0.2548000    
 O   -1.454400      -1.107800     -0.5208000    
 O   0.2778000       3.847300      0.4759000    
 O    5.257900       1.379200       1.309300    
 O    5.522400     -0.1434000     -0.6380000    
 O    5.111000       2.324700      -1.003800    
 O   -6.247900     -3.2900002E-02 -0.1328000    
 N   0.9266000      -2.052800     -0.8038000    
 N    2.761000       3.153200      0.2515000    
 N   -3.924900     -0.3990000     -0.2874000    
 C    1.746900      -3.196200     -0.4513000    
 C    2.011300      -3.208600       1.057700    
 C    1.071900      -4.490900     -0.9146000    
 C   0.7672000      -3.560800       1.873500    
 C  -0.1689000      -4.838600     -9.1899998E-02
 C   0.1356000      -4.867000       1.402600    
 C    1.313600     -0.7201000     -0.5319000    
 C   0.4013000      0.3118000     -0.2810000    
 C   0.8648000       1.603000     -2.0199999E-02
 C    2.683800     -0.4575000     -0.5204000    
 C    3.146300      0.8308000     -0.2596000    
 C    2.240500       1.862200     -9.4999997E-03
 C   -1.047500      2.4100000E-02 -0.2942000    
 C   -1.999100       1.122100     -2.7600000E-02
 C  -8.6900003E-02   2.701200      0.2456000    
 C   -1.535700       2.413500      0.2329000    
 C   -3.374800      0.8626000     -3.6499999E-02
 C   -2.448000       3.445200      0.4846000    
 C   -4.280500       1.893600      0.2150000    
 C   -3.818100       3.182100      0.4749000    
 C   -5.276500     -0.7588000     -0.3180000    
 C   -5.455100      -2.224300     -0.6253000    
 H    2.700100      -3.148700     -0.9899000    
 H    2.422700      -2.264700       1.428000    
 H    2.778600      -3.967200       1.263400    
 H    1.790400      -5.316500     -0.8300000    
 H   0.7954000      -4.419600      -1.973700    
 H   3.2299999E-02  -2.750000       1.799900    
 H    1.037000      -3.647100       2.932300    
 H  -0.5497000      -5.817600     -0.4049000    
 H  -0.9689000      -4.115400     -0.2893000    
 H   0.8156000      -5.699900       1.620200    
 H  -0.7870000      -5.054000       1.963500    
 H  -5.7700001E-02  -2.213000     -0.9792000    
 H    3.402900      -1.238800     -0.7351000    
 H   -2.115700       4.459200      0.6904000    
 H    3.756100       3.322100      0.2834000    
 H    2.138800       3.927200      0.4360000    
 H   -5.354600       1.805700      0.2333000    
 H   -4.523600       3.984600      0.6708000    
 H   -3.261700      -1.146300     -0.4695000    
 H    5.070700      0.6350000       1.928500    
 H   -5.051700      -2.445300      -1.617500    
 H   -6.518200      -2.479900     -0.6082000    
 H   -4.934000      -2.827400      0.1237000    


%chk=000165452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165452

0 1
S 4.937566 1.103665 0.066976
O -1.556684 -1.111410 -0.240340
O 0.238385 4.114581 0.036282
O 4.997637 1.142568 1.923046
O 5.676943 -0.234072 -0.455624
O 5.419722 2.559297 -0.476806
O -6.345163 0.001763 -0.152791
N 0.831001 -2.005005 -0.326773
N 2.689790 3.335140 -0.000012
N -4.004049 -0.298606 -0.182773
C 1.703419 -3.195870 -0.387634
C 2.170965 -3.644148 1.029864
C 0.943023 -4.345452 -1.097373
C 1.002991 -4.198421 1.879767
C -0.219188 -4.912726 -0.245353
C 0.275452 -5.354509 1.152852
C 1.247771 -0.704590 -0.205639
C 0.313891 0.404036 -0.139317
C 0.797367 1.760472 -0.067086
C 2.650023 -0.403757 -0.136191
C 3.079844 0.907490 -0.064536
C 2.213579 2.056796 -0.036149
C -1.128429 0.134515 -0.164168
C -2.094320 1.241770 -0.106205
C -0.154306 2.880892 -0.020836
C -1.609032 2.586486 -0.038825
C -3.526035 1.023612 -0.116816
C -2.503470 3.678778 0.015090
C -4.408707 2.138915 -0.061150
C -3.893065 3.447430 0.003436
C -5.326756 -0.751919 -0.196603
C -5.460308 -2.270787 -0.264193
H 2.594184 -2.947909 -0.999551
H 2.658588 -2.799042 1.552792
H 2.941942 -4.430817 0.900521
H 1.671950 -5.156141 -1.293985
H 0.575141 -3.994732 -2.080290
H 0.280783 -3.384207 2.091474
H 1.388452 -4.542878 2.857998
H -0.679586 -5.766646 -0.777678
H -1.019415 -4.152534 -0.129989
H 0.972253 -6.210945 1.039280
H -0.575371 -5.712732 1.763131
H -0.207454 -2.095741 -0.340293
H 3.395601 -1.203287 -0.153862
H -2.083502 4.686673 0.065475
H 3.696585 3.515954 -0.078205
H 1.962950 4.075638 0.026736
H -5.483360 1.948314 -0.070309
H -4.588368 4.292430 0.044732
H -3.222596 -0.991943 -0.224401
H 5.945703 1.322623 2.193247
H -6.100306 -2.536566 -1.122889
H -5.973092 -2.627503 0.646430
H -4.493237 -2.792643 -0.358288


