%chk=000057105.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057105

0 1
 S   -3.711700       3.560700      -2.052400    
 O   -4.271900       1.619100     -0.3956000    
 O   -3.516900      -1.116400       1.636800    
 N  -3.3000000E-02   2.565700      0.5229000    
 N    2.547600       1.454300      8.9999996E-03
 N   -2.364500       2.593300      0.1702000    
 N   -2.582600       1.590800       1.084800    
 N   -3.516600      -1.696600     -0.5885000    
 N   -1.622500      -2.822700      -1.563900    
 C   0.1585000       1.610600     -0.5755000    
 C    1.174800       3.382900      0.6902000    
 C    1.338400      0.6780000     -0.2926000    
 C    2.389600       2.509600       1.014300    
 C   -1.195700       3.415000      0.2670000    
 C    3.788400      0.8269000     -0.1494000    
 C    4.191400      0.3221000      -1.401800    
 C    4.671800      0.6796000      0.9388000    
 C   -3.402600       2.609400     -0.7387000    
 C    5.427500     -0.3045000      -1.559700    
 C    5.908000      5.3300001E-02  0.7808000    
 C    6.286000     -0.4388000     -0.4685000    
 C   -3.702300       1.068500      0.6999000    
 C   -4.420900     -6.3500002E-02   1.324300    
 C    7.607900      -1.108400     -0.6371000    
 C   -2.856000      -1.694600      0.5851000    
 C   -1.584400      -2.234100      0.7606000    
 C  -0.9906000      -2.804200     -0.3773000    
 C  -0.9142000      -2.220400       1.996100    
 C   -2.851000      -2.267900      -1.605100    
 C   0.2817000      -3.353900     -0.2402000    
 C   0.3564000      -2.776800       2.104700    
 C   0.9548000      -3.344200      0.9852000    
 C   -3.545400      -2.292800      -2.924500    
 H   0.3338000       2.141900      -1.521200    
 H  -0.7166000      0.9693000     -0.7268000    
 H    1.035200       4.094900       1.512600    
 H    1.375600       3.968000     -0.2175000    
 H    1.108300      2.7600000E-02  0.5603000    
 H    1.480200      3.0300001E-02  -1.165400    
 H    3.276100       3.155500       1.040700    
 H    2.266500       2.061500       2.008700    
 H   -1.361700       4.100600       1.106100    
 H   -1.076700       4.016200     -0.6412000    
 H    3.543700      0.4257000      -2.269500    
 H    4.405800       1.038500       1.929900    
 H    5.711000     -0.6832000      -2.538100    
 H    6.566400     -4.9699999E-02   1.639500    
 H   -5.244300     -0.4198000      0.6954000    
 H   -4.857900      0.2910000       2.263500    
 H    7.512000      -2.182000     -0.4474000    
 H    7.997600     -0.9645000      -1.650600    
 H    8.351100     -0.6948000      5.3199999E-02
 H   -1.368600      -1.779000       2.879600    
 H   0.7726000      -3.803000      -1.101500    
 H   0.8779000      -2.766800       3.056900    
 H    1.947100      -3.779300       1.060800    
 H   -4.074300      -1.350000      -3.096400    
 H   -2.832200      -2.435800      -3.742400    
 H   -4.269900      -3.112200      -2.945600    


%chk=000057105-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057105

0 1
S -2.560071 3.738687 -2.698194
O -3.371935 1.326224 -1.590782
O -3.282964 -1.381122 0.959836
N -0.121058 3.653068 0.642417
N 1.931029 1.879151 -0.374688
N -2.298718 2.631870 -0.137851
N -2.647386 1.452745 0.573098
N -1.465970 -1.802697 -0.479835
N 0.503455 -3.006244 0.282602
C 0.708645 4.041358 -0.516964
C 0.534349 2.661443 1.516916
C 1.234530 2.812149 -1.293542
C 1.074846 1.431381 0.740978
C -1.541147 3.744715 0.587095
C 2.947900 1.019861 -0.876789
C 3.913398 1.505703 -1.810425
C 3.075580 -0.333569 -0.450124
C -2.715979 2.618525 -1.455426
C 4.945456 0.675872 -2.284950
C 4.125211 -1.149072 -0.927977
C 5.083238 -0.670484 -1.852772
C -3.271037 0.712694 -0.328047
C -3.892081 -0.643458 -0.161023
C 6.216885 -1.547318 -2.357300
C -2.017458 -1.913396 0.728855
C -1.382733 -2.571400 1.841594
C -0.075830 -3.112721 1.550087
C -1.946201 -2.697869 3.144660
C -0.203023 -2.372793 -0.671819
C 0.638995 -3.777118 2.592019
C -1.222189 -3.354431 4.146753
C 0.071971 -3.894351 3.866638
C 0.372337 -2.247037 -2.055931
H 1.578322 4.621335 -0.147342
H 0.111824 4.678725 -1.192542
H -0.180587 2.325753 2.288858
H 1.393891 3.150139 2.019005
H 0.381268 2.300873 -1.798302
H 1.924276 3.150983 -2.081750
H 1.676511 0.823607 1.438473
H 0.222722 0.804610 0.384430
H -1.970344 3.727917 1.603245
H -1.845817 4.662867 0.056129
H 3.876761 2.547343 -2.146821
H 2.344273 -0.781312 0.229280
H 5.671139 1.088569 -2.997930
H 4.180225 -2.188192 -0.580191
H -3.781459 -1.199810 -1.107293
H -4.955810 -0.565488 0.117848
H 6.292733 -1.520699 -3.460577
H 7.195329 -1.216549 -1.957079
H 6.074981 -2.599855 -2.055405
H -2.936044 -2.275929 3.341386
H 1.626732 -4.184482 2.357181
H -1.645030 -3.456833 5.151751
H 0.624549 -4.406167 4.662227
H 0.523977 -1.183892 -2.316679
H 1.339288 -2.766275 -2.112315
H -0.327053 -2.666706 -2.801194


