%chk=000011061.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011061

0 1
 S    1.218500      0.3865000     -0.9846000    
 O   0.1095000     -0.8724000       1.050400    
 N    5.087800     -6.3299999E-02  0.1710000    
 C    3.944200      0.3338000     -0.6497000    
 C   -1.487600     -2.8000001E-02 -0.5886000    
 C    5.098400      -1.512600      0.3658000    
 C    6.337800      0.3786000     -0.4464000    
 C    2.648500     -9.9900000E-02  2.4200000E-02
 C   -2.440100      -1.188700     -0.3196000    
 C   -2.081600       1.320100     -0.1977000    
 C  -9.8099999E-02 -0.2744000      1.1000000E-03
 C    6.245500      -1.937000       1.267000    
 C    6.344400       1.883200     -0.6566000    
 C   -2.508500      -2.216700      -1.235200    
 C   -2.948600       1.942900      -1.070500    
 C   -3.200000      -1.170900      0.8301000    
 C   -1.733300       1.873400       1.016400    
 C   -3.379300      -3.278200     -0.9894000    
 C   -3.492500       3.176500     -0.7129000    
 C   -4.070700      -2.232600       1.075900    
 C   -2.277300       3.107000       1.374000    
 C   -4.160200      -3.286300      0.1661000    
 C   -3.156800       3.758600      0.5094000    
 H    3.894600       1.423400     -0.7495000    
 H    4.017800     -9.4400004E-02  -1.658500    
 H   -1.355400      8.2999999E-03  -1.681600    
 H    4.207500      -1.852400      0.8996000    
 H    5.148200      -2.057900     -0.5849000    
 H    7.187500      0.1684000      0.2112000    
 H    6.525300     -0.1271000      -1.402100    
 H    2.557200      0.3452000       1.021000    
 H    2.562900      -1.184700      0.1076000    
 H    7.213400      -1.900500      0.7577000    
 H    6.297200      -1.325800       2.174700    
 H    6.100000      -2.976500       1.582400    
 H    5.724000       2.191400      -1.503900    
 H    6.020700       2.422300      0.2405000    
 H    7.363900       2.215400     -0.8839000    
 H   -1.902200      -2.220800      -2.135800    
 H   -3.216600       1.496300      -2.023200    
 H   -3.142100     -0.3825000       1.571100    
 H   -1.064400       1.387300       1.718000    
 H   -3.448300      -4.099200      -1.697200    
 H   -4.177900       3.683400      -1.385800    
 H   -4.675300      -2.242000       1.978200    
 H   -2.019000       3.559000       2.327200    
 H   -4.837000      -4.113700      0.3584000    
 H   -3.581100       4.718600      0.7884000    


%chk=000011061-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011061

0 1
S 1.262499 1.502974 -1.516319
O 0.608978 0.329463 0.873768
N 4.670134 -0.412387 -0.048562
C 3.467826 -0.199400 -0.887902
C -1.311688 0.742164 -0.640081
C 4.333846 -0.881982 1.324907
C 5.741703 -1.202514 -0.707682
C 2.935236 1.230554 -0.663990
C -1.777223 -0.723235 -0.748822
C -2.199827 1.604927 0.272893
C 0.167610 0.764900 -0.213511
C 5.372802 -0.452616 2.378024
C 6.489964 -0.408572 -1.795261
C -1.843866 -1.334610 -2.025409
C -3.295847 2.285614 -0.317649
C -2.110189 -1.485042 0.398488
C -1.993799 1.724485 1.670649
C -2.242906 -2.683976 -2.157676
C -4.171260 3.066190 0.467923
C -2.506172 -2.834063 0.267409
C -2.867634 2.510601 2.456076
C -2.575273 -3.438485 -1.009803
C -3.959501 3.182051 1.861395
H 3.730081 -0.328920 -1.952961
H 2.662430 -0.934619 -0.660261
H -1.357112 1.176718 -1.655883
H 3.350297 -0.454879 1.595196
H 4.207949 -1.993435 1.347581
H 6.467036 -1.495537 0.073113
H 5.341324 -2.154075 -1.140768
H 3.619408 1.990439 -1.072276
H 2.764821 1.422460 0.408042
H 6.375496 -0.865192 2.162595
H 5.457089 0.647887 2.402764
H 5.073490 -0.808391 3.381711
H 5.814984 -0.088192 -2.610101
H 6.947762 0.495639 -1.357634
H 7.287195 -1.028102 -2.247195
H -1.578981 -0.754615 -2.918241
H -3.466547 2.199322 -1.397928
H -2.064799 -1.023669 1.389809
H -1.144257 1.217925 2.140134
H -2.294211 -3.143069 -3.151368
H -5.012444 3.584851 -0.005673
H -2.763168 -3.413701 1.161250
H -2.692235 2.598974 3.534282
H -2.885778 -4.484700 -1.108588
H -4.634341 3.790939 2.473337


