%chk=000112604.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112604

1 1
 S   -1.409600       4.737400      0.6875000    
 O  -0.8204000      -2.318200      0.7961000    
 O   -1.469200       5.994600     -0.3478000    
 O  -0.1617000       4.788200       1.420200    
 O   -2.688400       4.616700       1.356000    
 O   -5.054600      -1.818200      2.6200000E-02
 N  -0.5582000     -0.3376000     -0.2325000    
 C  -0.9786000       2.093900      0.1041000    
 C  -0.8715000      0.9308000     -0.8840000    
 C   -1.293600       3.453000     -0.5344000    
 C   0.6907000     -0.8288000      1.8000000E-03
 C   -1.397500      -1.211600      0.2329000    
 C   0.5312000      -2.060200      0.6412000    
 C   -2.602100       3.385300      -1.317000    
 C    1.957900     -0.3239000     -0.2793000    
 C    3.049300      -1.113300      0.1117000    
 C    1.596500      -2.858000       1.037100    
 C   -2.799200      -1.041500      0.1667000    
 C    2.871300      -2.349400      0.7539000    
 C    4.392600     -0.6403000     -0.1533000    
 C   -3.691600      -2.050300      2.5900001E-02
 C   -3.275900      -3.495100     -7.7699997E-02
 C    5.054000      0.1414000      0.7928000    
 C    5.021800     -0.9679000      -1.353300    
 C   -3.200200      -4.165000       1.286900    
 C    6.347600      0.5968000      0.5380000    
 C    6.315500     -0.5126000      -1.607900    
 C   -5.519800      -1.574900      -1.285900    
 C    6.978400      0.2698000     -0.6622000    
 C   -7.014800      -1.340900      -1.243600    
 H   -1.738100       1.857800      0.8603000    
 H  -3.4499999E-02   2.167900      0.6588000    
 H  -9.0700001E-02   1.146000      -1.623600    
 H   -1.793600      0.8045000      -1.460500    
 H  -0.4717000       3.732400      -1.204000    
 H   -3.420300       2.990300     -0.7046000    
 H   -2.504000       2.748900      -2.201800    
 H   -2.910300       4.371700      -1.679200    
 H    2.096100      0.6325000     -0.7727000    
 H    1.454800      -3.810600       1.532000    
 H   -3.194900     -3.1199999E-02  0.2304000    
 H    3.736700      -2.942400       1.047100    
 H  -0.6237000       6.205500     -0.8093000    
 H   -4.008800      -4.037100     -0.6887000    
 H   -2.329200      -3.612400     -0.6158000    
 H    4.576700      0.4055000       1.733500    
 H    4.519300      -1.576800      -2.101100    
 H   -2.853100      -5.197700       1.178500    
 H   -2.523900      -3.652500       1.976100    
 H   -4.189200      -4.195400       1.757700    
 H    6.863900       1.206000       1.274300    
 H    6.806900     -0.7671000      -2.542400    
 H   -5.310700      -2.432600      -1.936800    
 H   -5.032000     -0.6872000      -1.707700    
 H    7.985700      0.6242000     -0.8605000    
 H   -7.409100      -1.147200      -2.245200    
 H   -7.529800      -2.211500     -0.8239000    
 H   -7.253900     -0.4883000     -0.5994000    


%chk=000112604-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112604

1 1
S 0.480339 4.186594 -0.561648
O -0.936005 -2.412611 -0.253116
O 0.168979 3.808464 -2.366218
O 1.623919 3.158713 -0.035617
O 0.682938 5.771011 -0.351150
O -5.211322 -1.917308 -1.032320
N -0.741873 -0.205663 -0.689103
C -1.222474 2.054225 0.271844
C -1.059409 1.201643 -1.012628
C -1.349576 3.555930 0.007348
C 0.569084 -0.671825 -0.377838
C -1.628109 -1.254997 -0.603684
C 0.443398 -2.051216 -0.114607
C -1.739961 4.417502 1.203418
C 1.809395 -0.021924 -0.325419
C 2.946592 -0.807576 0.019899
C 1.527472 -2.859635 0.226416
C -3.023151 -1.220534 -0.822131
C 2.778642 -2.205830 0.292712
C 4.292565 -0.173115 0.108677
C -3.913922 -2.298765 -0.804747
C -3.572008 -3.743315 -0.525551
C 4.427918 1.212004 0.411273
C 5.473092 -0.935106 -0.117624
C -3.649332 -4.074767 0.996367
C 5.703103 1.807822 0.494325
C 6.747156 -0.337009 -0.035256
C -6.332146 -2.917071 -1.140971
C 6.868660 1.037361 0.274477
C -7.617972 -2.107894 -1.243877
H -2.136361 1.744761 0.816925
H -0.368330 1.874437 0.951935
H -0.244910 1.595066 -1.644615
H -1.975322 1.231056 -1.626532
H -1.904621 3.808984 -0.912129
H -1.154009 4.167092 2.104334
H -2.808949 4.242229 1.428013
H -1.616027 5.492469 0.989775
H 1.905713 1.047198 -0.534425
H 1.420594 -3.924760 0.442688
H -3.464009 -0.242012 -1.032133
H 3.650169 -2.793371 0.594462
H 0.858832 4.274113 -2.921396
H -4.255043 -4.406889 -1.084007
H -2.551127 -3.949976 -0.881463
H 3.543961 1.831103 0.603170
H 5.402273 -1.992743 -0.395322
H -3.435610 -5.145746 1.150380
H -2.904914 -3.490877 1.562995
H -4.647759 -3.861530 1.416786
H 5.786821 2.872134 0.737696
H 7.642673 -0.938948 -0.221712
H -6.320472 -3.564964 -0.246516
H -6.156496 -3.525961 -2.046913
H 7.857913 1.502183 0.340996
H -8.475421 -2.796982 -1.344372
H -7.775071 -1.491625 -0.343297
H -7.601994 -1.448148 -2.126975


