%chk=000060489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060489

1 1
 S   -3.681800     -0.7300000     -0.9561000    
 O   0.5638000      0.7324000       2.136000    
 N    3.811500      0.4789000     -0.5618000    
 N  -0.9218000      0.1130000      0.4366000    
 C    2.761800      0.3289000      0.4772000    
 C    5.204200      0.2243000      3.0800000E-02
 C    3.590600     -0.5180000      -1.707500    
 C    3.795400       1.895600      -1.151900    
 C    1.405200      0.6558000     -0.1014000    
 C    5.479800       1.245600       1.112600    
 C    3.602000      -1.925500      -1.152400    
 C   0.3305000      0.4878000      0.9518000    
 C   -1.241800      -1.289600      0.3012000    
 C   -1.898400       1.135600      0.1423000    
 C   -2.417500      -1.767200     -0.2921000    
 C   -3.150700      0.8711000     -0.4306000    
 C  -0.3520000      -2.256200      0.8272000    
 C   -1.588000       2.492300      0.3976000    
 C   -2.656400      -3.153800     -0.3879000    
 C   -4.059500       1.920400     -0.6801000    
 C  -0.5966000      -3.628500      0.7322000    
 C   -2.493300       3.527200      0.1462000    
 C   -1.750100      -4.079600      0.1163000    
 C   -3.737000       3.239800     -0.3862000    
 H    2.814300     -0.6578000      0.9465000    
 H    2.956000       1.057100       1.271100    
 H    5.229600     -0.7687000      0.4848000    
 H    5.940500      0.2856000     -0.7780000    
 H    2.662500     -0.2840000      -2.235100    
 H    4.414700     -0.3815000      -2.418200    
 H    3.650700       2.627800     -0.3528000    
 H    4.740700       2.066400      -1.676700    
 H    2.977000       1.971500      -1.874600    
 H    1.332000       1.693900     -0.4410000    
 H    1.138700      8.5000005E-03 -0.9405000    
 H    6.505500       1.093600       1.471600    
 H    5.438500       2.282300      0.7715000    
 H    4.846300       1.128400       1.995300    
 H    3.457000      -2.617100      -1.992300    
 H    4.547400      -2.226700     -0.6983000    
 H    2.780300      -2.137200     -0.4648000    
 H   0.5685000      -1.961600       1.326100    
 H  -0.6291000       2.782400      0.8212000    
 H   -3.564100      -3.530700     -0.8569000    
 H   -5.034200       1.719000      -1.122100    
 H   0.1177000      -4.336600       1.141500    
 H   -2.218800       4.553800      0.3703000    
 H   -1.950800      -5.143200      3.5599999E-02
 H   -4.447300       4.035600     -0.5862000    


%chk=000060489-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060489

1 1
S -1.521218 0.293767 -2.226482
O 0.949483 1.529922 1.654952
N 3.510808 0.257277 -0.450909
N -0.665230 0.172621 0.644661
C 3.064254 -0.174592 0.968047
C 4.953614 0.834409 -0.354089
C 3.520567 -0.939740 -1.443542
C 2.576313 1.318612 -1.035146
C 1.639279 -0.737902 1.082793
C 5.082660 2.173152 0.382815
C 4.391218 -2.135945 -1.044072
C 0.606191 0.408839 1.170914
C -1.098582 -1.122413 0.157561
C -1.575667 1.285467 0.412450
C -1.530792 -1.224347 -1.188912
C -2.070135 1.460101 -0.902873
C -1.159717 -2.252236 1.006150
C -1.969183 2.165883 1.442169
C -1.968772 -2.462585 -1.705064
C -2.953770 2.517118 -1.201725
C -1.580034 -3.495814 0.486389
C -2.838825 3.236476 1.140868
C -1.974188 -3.602547 -0.868969
C -3.328589 3.412872 -0.174339
H 3.809703 -0.910721 1.307044
H 3.124950 0.725714 1.600793
H 5.560532 0.060677 0.143756
H 5.304485 0.932281 -1.396919
H 2.468990 -1.247919 -1.564393
H 3.853827 -0.515382 -2.407102
H 2.401946 2.108430 -0.292814
H 3.043987 1.730114 -1.943646
H 1.612571 0.854539 -1.298929
H 1.385748 -1.467927 0.296866
H 1.608609 -1.303508 2.034112
H 6.153843 2.442484 0.392107
H 4.547970 2.994461 -0.120190
H 4.755204 2.126865 1.433997
H 4.301692 -2.893321 -1.842861
H 5.461903 -1.887992 -0.959557
H 4.057234 -2.617280 -0.109894
H -0.897896 -2.149209 2.064942
H -1.580564 2.025211 2.453599
H -2.319992 -2.530429 -2.739444
H -3.349614 2.633682 -2.215272
H -1.624680 -4.371269 1.141583
H -3.138620 3.928523 1.933782
H -2.316384 -4.563000 -1.266875
H -4.011629 4.237681 -0.400331


