%chk=000074718.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074718

0 1
 S    4.811700       1.028700     -3.7400000E-02
 S    6.379700     -0.3600000     -7.3000002E-03
 O    7.726300      0.5572000     -5.4000001E-02
 O    6.340600      -1.030700       1.278000    
 O    6.312300      -1.116900      -1.242500    
 N   0.9064000     -6.8000004E-02  4.4799998E-02
 C   -4.063400     -0.3348000      1.6400000E-02
 C   -2.844700      0.5905000     -6.2000002E-03
 C   -5.398300      0.4165000     -1.7899999E-02
 C   -1.540500     -0.2093000      5.3300001E-02
 C   -6.615600     -0.5120000     -2.1600001E-02
 C  -0.3239000      0.7130000     -4.3000001E-03
 C   -7.948000      0.2414000      5.7999999E-03
 C    2.074700      0.7998000      1.3000000E-03
 C   -9.162300     -0.6740000     -2.4400000E-02
 C    3.345100     -4.1400000E-02  1.5900001E-02
 H   -4.014700      -1.016600     -0.8418000    
 H   -4.028300     -0.9584000      0.9184000    
 H   -2.865700       1.198100     -0.9189000    
 H   -2.892700       1.281200      0.8442000    
 H   -5.455200       1.082800      0.8517000    
 H   -5.430800       1.055100     -0.9092000    
 H   -1.515700     -0.8012000      0.9770000    
 H   -1.509500     -0.9170000     -0.7849000    
 H   -6.578400      -1.150000     -0.9131000    
 H   -6.564000      -1.179000      0.8478000    
 H  -0.3609000       1.408200      0.8431000    
 H  -0.3603000       1.305000     -0.9270000    
 H   -7.995200      0.8634000      0.9076000    
 H   -7.997800      0.9218000     -0.8526000    
 H   0.9303000     -0.7208000     -0.7381000    
 H    2.049000       1.415500     -0.9069000    
 H    2.066100       1.471600      0.8687000    
 H   -9.166100      -1.345400      0.8401000    
 H   -9.168500      -1.284000     -0.9332000    
 H   -10.08400     -8.4299996E-02 -2.7000001E-03
 H    3.373500     -0.7136000     -0.8485000    
 H    3.391200     -0.6531000      0.9234000    
 H    8.576900      5.8800001E-02 -4.6900000E-02


%chk=000074718-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074718

0 1
S 3.878630 -1.709221 -0.080091
S 2.517482 -0.764957 1.843760
O 2.944264 1.085048 1.873671
O 0.969032 -0.775714 1.361101
O 2.941722 -1.375298 3.281425
N 1.458423 0.994354 -2.166073
C -3.194503 -0.119632 -0.302403
C -2.121583 0.950637 -0.607048
C -4.490753 0.472438 0.295905
C -0.828547 0.349297 -1.200763
C -5.567012 -0.594855 0.596825
C 0.247228 1.442015 -1.466922
C -6.863893 -0.003894 1.195874
C 2.628333 0.490066 -1.466914
C -7.935472 -1.076217 1.489181
C 2.618039 -1.075152 -1.311853
H -3.439609 -0.670435 -1.234979
H -2.772418 -0.866638 0.400463
H -2.542619 1.702788 -1.307913
H -1.875824 1.493774 0.328809
H -4.245698 1.018387 1.230943
H -4.908366 1.226475 -0.404380
H -0.409501 -0.392734 -0.494746
H -1.062753 -0.176968 -2.149780
H -5.812956 -1.142582 -0.337359
H -5.151170 -1.348482 1.297828
H 0.557232 1.883465 -0.501507
H -0.215509 2.252307 -2.068347
H -6.617742 0.539594 2.131034
H -7.276113 0.752309 0.496632
H 1.359096 0.758717 -3.156418
H 3.557977 0.773565 -1.997536
H 2.662075 0.965022 -0.471154
H -7.556343 -1.828167 2.206963
H -8.223551 -1.612153 0.564871
H -8.850489 -0.629338 1.920005
H 2.907610 -1.541045 -2.271989
H 1.623106 -1.452776 -1.016798
H 3.491479 1.244100 2.697783


