%chk=000040101.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040101

0 1
 S   -2.890900       2.413200     -1.0900000E-02
 S    2.582400      9.1799997E-02   2.174400    
 O   -3.723300       1.313100     -0.4859000    
 O   -3.433900       3.304900       1.008500    
 N  -0.3017000      -2.341400      6.6900000E-02
 N   -2.766200      -3.766800     -6.5300003E-02
 N   -2.391300       3.360000      -1.370200    
 C  -0.9596000      -2.775700       1.298600    
 C  -0.6203000      -3.138000      -1.117400    
 C   -2.469100      -2.890100       1.076600    
 C   -2.137000      -3.245000      -1.287200    
 C   0.6711000      -1.384600      5.9999999E-02
 C   0.2658000     -4.9400002E-02  0.5804000    
 C   -4.210700      -3.900700     -0.2484000    
 C    1.910000      -1.643100     -0.4089000    
 C    1.010000      0.6693000       1.538900    
 C  -0.9370000      0.5159000      0.1125000    
 C    3.073800     -0.7410000     -0.4597000    
 C   -1.394300       1.745200      0.5900000    
 C    3.488000      4.8099998E-02  0.6296000    
 C   0.5373000       1.901800       2.018800    
 C  -0.6596000       2.435300       1.546100    
 C    3.846100     -0.7401000      -1.632400    
 C    4.647500      0.8300000      0.5238000    
 C    4.994000      4.6799999E-02  -1.730900    
 C    5.393900      0.8312000     -0.6538000    
 C   -1.435600       4.468900      -1.120600    
 C   -2.089400       2.640300      -2.633600    
 H  -0.7709000      -2.085500       2.129500    
 H  -0.5480000      -3.747900       1.598600    
 H  -0.1766000      -4.136300      -1.014600    
 H  -0.2011000      -2.686800      -2.025400    
 H   -2.920400      -3.299600       1.988400    
 H   -2.897100      -1.891100      0.9194000    
 H   -2.549700      -2.260100      -1.544000    
 H   -2.342700      -3.916200      -2.129700    
 H   -4.431600      -4.586900      -1.073500    
 H   -4.693100      -2.939600     -0.4604000    
 H   -4.673600      -4.328400      0.6479000    
 H    2.121700      -2.638500     -0.7998000    
 H   -1.516000     -1.1100000E-02 -0.6434000    
 H    1.101300       2.465500       2.758900    
 H  -0.9924000       3.394600       1.931900    
 H    3.559400      -1.353500      -2.484300    
 H    4.982200       1.447600       1.354300    
 H    5.578000      4.1999999E-02  -2.646500    
 H    6.289300       1.441300     -0.7284000    
 H   -1.691000       4.999100     -0.1990000    
 H   -1.497700       5.194400      -1.938100    
 H  -0.4099000       4.095000      -1.057900    
 H   -1.139800       2.103800      -2.556900    
 H   -2.024900       3.354900      -3.460300    
 H   -2.890800       1.937600      -2.876800    


%chk=000040101-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040101

0 1
S -2.952629 2.590423 0.284035
S 2.794979 0.157506 2.139771
O -3.850793 1.317233 -0.187797
O -3.411102 3.624896 1.451700
N -0.455672 -2.109649 -0.019156
N -2.726272 -3.894296 -0.175176
N -2.751929 3.657275 -1.273034
C -1.351863 -2.327730 1.151610
C -0.428393 -3.278282 -0.921263
C -2.770671 -2.691243 0.689883
C -1.861778 -3.650271 -1.349971
C 0.683485 -1.277507 0.124638
C 0.363222 0.084315 0.659254
C -4.071643 -4.368703 -0.554826
C 1.919584 -1.653919 -0.375151
C 1.190550 0.832283 1.544504
C -0.876026 0.666458 0.267852
C 3.164605 -0.881114 -0.488934
C -1.255785 1.905954 0.789566
C 3.663760 -0.000005 0.515646
C 0.779192 2.090599 2.049347
C -0.469240 2.642390 1.692601
C 3.987722 -1.074888 -1.640851
C 4.888462 0.685382 0.359817
C 5.218896 -0.409634 -1.796897
C 5.674261 0.481828 -0.796468
C -1.942594 4.863007 -0.980587
C -2.286911 2.835945 -2.414492
H -1.380766 -1.417354 1.770417
H -0.949785 -3.156558 1.774814
H 0.047692 -4.157597 -0.430681
H 0.155968 -3.023595 -1.823347
H -3.393600 -2.913774 1.575771
H -3.225563 -1.813315 0.163826
H -2.265893 -2.827030 -1.995738
H -1.822673 -4.571523 -1.961408
H -3.985683 -5.301716 -1.140363
H -4.646649 -3.626599 -1.163402
H -4.656341 -4.589032 0.355904
H 1.982242 -2.651755 -0.826310
H -1.536461 0.110902 -0.405662
H 1.441219 2.626961 2.735976
H -0.830185 3.584397 2.116932
H 3.634816 -1.756846 -2.423886
H 5.230022 1.358846 1.152639
H 5.822153 -0.582438 -2.694911
H 6.630705 1.003474 -0.907602
H -2.305343 5.317021 -0.043575
H -2.122278 5.583203 -1.799355
H -0.848003 4.670053 -0.912353
H -1.202658 2.584655 -2.381889
H -2.486846 3.413762 -3.335057
H -2.886910 1.911803 -2.456557


