%chk=000052923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052923

0 1
 S    4.823100     -8.7499999E-02   1.144600    
 O   -1.091800       2.471200      0.8862000    
 O  -0.5869000      -1.542500      -1.623000    
 O   -4.054100      -1.416300      3.2800000E-02
 N   -2.743300      -1.161200     -0.3217000    
 C    1.878300      0.8321000     -0.4105000    
 C    3.302100       1.242900     -0.7814000    
 C    1.006800       2.067600     -0.1797000    
 C    1.272700     -4.8900001E-02  -1.504100    
 C    4.330600      0.1208000     -0.6038000    
 C  -0.4038000       1.697300      0.2226000    
 C  -0.1273000     -0.5030000      -1.153500    
 C  -0.9327000      0.3906000     -0.2692000    
 C   -2.163600      7.4000000E-03  9.6100003E-02
 C    5.581100      0.4044000      -1.432900    
 C   -3.007000      0.8900000      0.9923000    
 C   -3.833900       1.902100      0.1943000    
 C    5.402100      -1.794500       1.039200    
 C   -4.653800       2.795600       1.112400    
 C    5.895600      -2.274200       2.390900    
 C   -4.235300      -2.820900     -0.1032000    
 C   -5.659100      -3.173000      0.2717000    
 H    1.892900      0.2609000      0.5277000    
 H    3.303000       1.581800      -1.826600    
 H    3.612600       2.116800     -0.1926000    
 H    1.435000       2.670500      0.6300000    
 H   0.9517000       2.690100      -1.080200    
 H    1.222000      0.4826000      -2.461600    
 H    1.874100     -0.9522000      -1.647500    
 H    3.907300     -0.8251000     -0.9536000    
 H    6.069900       1.335500      -1.123600    
 H    5.318300      0.5104000      -2.491900    
 H    6.315300     -0.4047000      -1.372700    
 H   -3.724700      0.2585000       1.537300    
 H   -2.477700       1.310000       1.852300    
 H   -4.516800       1.373600     -0.4825000    
 H   -3.198000       2.531800     -0.4375000    
 H    4.581100      -2.437000      0.7057000    
 H    6.218900      -1.873800      0.3168000    
 H   -2.312900      -1.739000      -1.032400    
 H   -5.341600       2.203900       1.724800    
 H   -5.246600       3.502200      0.5231000    
 H   -4.005100       3.370900       1.780500    
 H    6.737200      -1.671400       2.749200    
 H    5.100400      -2.244700       3.143600    
 H    6.240300      -3.311000       2.315600    
 H   -4.050900      -3.126200      -1.140400    
 H   -3.540200      -3.353400      0.5573000    
 H   -5.872900      -2.868200       1.301500    
 H   -6.369500      -2.642400     -0.3709000    
 H   -5.833800      -4.248500      0.1784000    


%chk=000052923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052923

0 1
S 4.625965 -0.490069 1.026442
O -1.072784 2.848753 0.731648
O -0.535033 -1.626093 -1.040279
O -4.020991 -1.480988 0.213736
N -2.661459 -1.066996 -0.034102
C 1.981543 0.967575 -0.233278
C 3.403498 1.363092 -0.698592
C 1.054996 2.199267 -0.210323
C 1.337296 -0.105833 -1.132925
C 4.453762 0.229968 -0.740777
C -0.394857 1.903835 0.202483
C -0.095306 -0.419821 -0.737143
C -0.928191 0.554616 -0.070722
C -2.293873 0.181788 0.299427
C 5.808557 0.731121 -1.271701
C -3.293568 1.085404 0.981138
C -4.083987 1.954023 -0.044018
C 5.594260 -2.076789 0.643835
C -5.089634 2.879559 0.670409
C 5.614918 -2.971575 1.892343
C -4.072567 -2.970974 0.276478
C -5.541107 -3.329507 0.487077
H 2.055249 0.554805 0.792890
H 3.341816 1.794881 -1.721345
H 3.784794 2.171848 -0.041637
H 1.427680 2.982692 0.473895
H 1.022524 2.655589 -1.224111
H 1.340141 0.242786 -2.188747
H 1.891934 -1.059854 -1.108064
H 4.089627 -0.606426 -1.367378
H 6.199108 1.541889 -0.631044
H 5.696602 1.124570 -2.301629
H 6.562443 -0.075371 -1.300532
H -4.008129 0.461611 1.546968
H -2.757951 1.766539 1.658843
H -4.613293 1.292215 -0.756339
H -3.362917 2.563590 -0.617930
H 5.090101 -2.581061 -0.200264
H 6.618114 -1.800652 0.338744
H -1.863444 -1.650812 -0.580841
H -5.817453 2.297463 1.267099
H -5.657072 3.486307 -0.058841
H -4.563682 3.572347 1.352589
H 6.094046 -2.456881 2.744444
H 4.591609 -3.255640 2.194382
H 6.185675 -3.896808 1.688909
H -3.682542 -3.384175 -0.674876
H -3.435128 -3.317107 1.112775
H -5.922261 -2.896113 1.427295
H -6.160246 -2.959123 -0.347451
H -5.649680 -4.427566 0.540943


