%chk=000052650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052650

0 1
 S    1.390100     -0.2434000       2.415200    
 O   -2.226200       2.237900      -1.054500    
 N    4.574800       1.007400      0.2457000    
 C   -2.992100       1.772200      6.9399998E-02
 C   -2.116100       1.727600       1.306300    
 C  -0.9572000      0.6950000       1.192500    
 C   -4.173500       2.718200      0.1973000    
 C   -4.440500       3.062200      -1.246500    
 C   -3.038900       3.146300      -1.812500    
 C   -1.444000     -0.6963000      0.9268000    
 C  -9.2500001E-02  0.8136000       2.477500    
 C   -1.103500      -1.393400     -0.2440000    
 C   -2.258500      -1.284900       1.894600    
 C   -1.596100      -2.706200     -0.4354000    
 C    2.405900      0.8026000       1.348900    
 C    3.763000      0.1534000       1.107600    
 C   -2.742700      -2.576000       1.706300    
 C  -0.2849000     -0.8165000      -1.228700    
 C   -2.414400      -3.283300      0.5494000    
 C   -1.255700      -3.403600      -1.606000    
 C   4.2900000E-02  -1.523700      -2.385600    
 C    4.165000      0.8645000      -1.151800    
 C    5.994700      0.6868000      0.3951000    
 C  -0.4416000      -2.814900      -2.574000    
 C    4.957600       1.794800      -2.054300    
 C    6.284000     -0.7402000     -3.9299998E-02
 H   -3.370900      0.7769000     -0.1897000    
 H   -2.735800       1.510800       2.185300    
 H   -1.674500       2.720200       1.468700    
 H  -0.3370000       1.091300      0.3918000    
 H   -5.030500       2.263100      0.7016000    
 H   -3.894000       3.626000      0.7457000    
 H   -4.990200       2.244800      -1.728000    
 H   -5.011500       3.984400      -1.381500    
 H   -2.620300       4.150400      -1.686700    
 H   -2.997400       2.880900      -2.872500    
 H   0.2195000       1.851000       2.643800    
 H  -0.6646000      0.5180000       3.363600    
 H   -2.533900     -0.7597000       2.804700    
 H    1.870800      0.9553000      0.4112000    
 H    2.538000       1.777800       1.830700    
 H    3.628600     -0.8504000      0.6835000    
 H    4.252000      3.2099999E-02   2.084000    
 H   -3.377100      -3.033900       2.459700    
 H   0.1323000      0.1804000      -1.171200    
 H   -2.804300      -4.291300      0.4231000    
 H   -1.623000      -4.413800      -1.774100    
 H   0.6763000      -1.066700      -3.140600    
 H    4.205400     -0.1638000      -1.528000    
 H    3.119000       1.172900      -1.258500    
 H    6.635300       1.392700     -0.1440000    
 H    6.285300      0.8076000       1.446900    
 H  -0.1859000      -3.364900      -3.475000    
 H    4.480500       1.843300      -3.039800    
 H    5.982300       1.448900      -2.219600    
 H    4.987500       2.815800      -1.658100    
 H    7.339500     -0.9576000      0.1656000    
 H    6.150000     -0.9035000      -1.112100    
 H    5.711300      -1.491600      0.5111000    


%chk=000052650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052650

0 1
S 1.350024 -0.134659 2.724513
O -2.023765 2.559185 -0.802221
N 4.385085 0.685352 0.002667
C -3.009316 1.858368 0.088655
C -2.349632 1.625650 1.455488
C -1.072255 0.734707 1.362677
C -4.262032 2.763907 0.108147
C -4.213000 3.461452 -1.274653
C -2.700766 3.705454 -1.458097
C -1.412497 -0.712684 0.984593
C -0.269459 0.845521 2.683156
C -1.105108 -1.260330 -0.321187
C -2.032799 -1.540190 1.931854
C -1.386098 -2.663391 -0.583988
C 2.247416 0.685565 1.266171
C 3.702493 0.181217 1.220671
C -2.334932 -2.907747 1.662757
C -0.537457 -0.480462 -1.389869
C -2.003032 -3.466517 0.428818
C -1.049696 -3.226782 -1.860491
C -0.225043 -1.058034 -2.622985
C 4.115893 -0.141912 -1.201174
C 5.804564 1.064757 0.209853
C -0.470385 -2.446933 -2.861532
C 4.414973 0.593318 -2.521432
C 6.797400 -0.100228 0.481900
H -3.241828 0.886742 -0.392368
H -3.087698 1.158064 2.138335
H -2.079242 2.614045 1.878892
H -0.449522 1.186187 0.573155
H -5.188917 2.186188 0.263770
H -4.178774 3.512920 0.919473
H -4.592081 2.781458 -2.059001
H -4.800256 4.395284 -1.307701
H -2.383652 4.647428 -0.964618
H -2.381096 3.726090 -2.514516
H -0.024790 1.905086 2.881529
H -0.837185 0.457609 3.547670
H -2.273753 -1.138591 2.923642
H 1.714214 0.420633 0.338418
H 2.224893 1.780383 1.401257
H 3.711010 -0.933897 1.283980
H 4.238323 0.554703 2.113001
H -2.812762 -3.518301 2.436971
H -0.389764 0.596036 -1.259808
H -2.210441 -4.522489 0.217691
H -1.261811 -4.288653 -2.035936
H 0.200115 -0.437824 -3.420241
H 4.676388 -1.110223 -1.177807
H 3.042840 -0.409512 -1.185953
H 6.143916 1.632275 -0.676884
H 5.835212 1.773895 1.059302
H -0.215974 -2.887883 -3.831814
H 4.095793 -0.024432 -3.381256
H 5.492303 0.805452 -2.647010
H 3.868659 1.552615 -2.552883
H 7.815704 0.297773 0.650032
H 6.846590 -0.800402 -0.371683
H 6.505312 -0.675741 1.379672


