%chk=000077620.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077620

0 1
 S   -2.162200      -2.010800     -0.1782000    
 O   -2.475400      -2.753200       1.023700    
 O   -2.502600      -2.529400      -1.485600    
 N  -0.5004000      -1.595200     -0.1610000    
 N    2.040100     -0.3429000     -1.6300000E-02
 C  -5.7599999E-02 -0.6855000      -1.255200    
 C   3.2400001E-02  -1.145500       1.155900    
 C    1.466600     -0.6809000      -1.326800    
 C    1.558500      -1.141800       1.116600    
 C    3.335400      0.1866000      1.0400000E-02
 C   -2.882100     -0.4064000     -2.5200000E-02
 C    3.640300       1.390300     -0.6550000    
 C    4.372100     -0.4691000      0.7032000    
 C   -3.173000      0.3177000      -1.169800    
 C   -3.144100      0.1024000       1.236500    
 C   -3.741400       1.585800      -1.049500    
 C   -3.712700       1.370500       1.356600    
 C   -4.011300       2.112100      0.2135000    
 C    4.931500       1.917500     -0.6289000    
 C    5.663100      5.8300000E-02  0.7294000    
 C    5.942700       1.251600      6.3299999E-02
 C   -4.619700       3.467800      0.3423000    
 H  -0.4035000      0.3362000      -1.066000    
 H  -0.4527000      -1.024200      -2.218100    
 H  -0.2921000      -1.820700       1.953700    
 H  -0.3261000     -0.1357000       1.382800    
 H    1.772200      3.0900000E-02  -2.102100    
 H    1.832500      -1.670000      -1.630900    
 H    1.928300      -2.170900       1.024300    
 H    1.922400     -0.7322000       2.066900    
 H    2.864900       1.933600      -1.190600    
 H    4.195000      -1.407800       1.222300    
 H   -2.969600     -7.1999997E-02  -2.162400    
 H   -2.915900     -0.4568000       2.138600    
 H   -3.967500       2.155000      -1.947400    
 H   -3.915900       1.771000       2.346200    
 H    5.148800       2.848000      -1.145100    
 H    6.451600     -0.4614000       1.265800    
 H    6.948000       1.662100      8.3700001E-02
 H   -3.834200       4.227500      0.4050000    
 H   -5.261300       3.696400     -0.5156000    
 H   -5.246600       3.536000       1.237900    


%chk=000077620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077620

0 1
S -2.179880 -1.887822 -0.330473
O -2.467933 -2.824531 0.967065
O -2.491703 -2.344737 -1.859770
N -0.321636 -1.572680 -0.291495
N 2.249577 -0.416286 -0.107979
C 0.140982 -0.707033 -1.402478
C 0.150045 -1.096090 1.028913
C 1.681516 -0.812367 -1.416856
C 1.694523 -1.183720 1.022424
C 3.573604 0.094417 -0.032037
C -3.072695 -0.241486 -0.043743
C 4.064609 0.998195 -1.023538
C 4.444080 -0.240857 1.048622
C -3.411044 0.537751 -1.162768
C -3.388628 0.126045 1.274943
C -4.085789 1.757623 -0.936691
C -4.063375 1.350626 1.473961
C -4.412962 2.185044 0.378304
C 5.361618 1.539015 -0.931369
C 5.737323 0.318273 1.136694
C 6.212861 1.210039 0.150609
C -5.116320 3.509859 0.608217
H -0.156369 0.357869 -1.265441
H -0.271920 -1.095827 -2.348938
H -0.256685 -1.759982 1.810777
H -0.151897 -0.042814 1.231290
H 2.076462 -0.165189 -2.214318
H 1.954855 -1.863177 -1.659018
H 1.990977 -2.255937 0.982977
H 2.059031 -0.752595 1.970357
H 3.422543 1.307056 -1.855044
H 4.131307 -0.960249 1.811199
H -3.188123 0.180117 -2.173478
H -3.149025 -0.542276 2.108626
H -4.371154 2.379642 -1.792898
H -4.331037 1.656492 2.491913
H 5.704646 2.234826 -1.706028
H 6.381790 0.037862 1.978110
H 7.219019 1.636031 0.219280
H -4.381507 4.327837 0.738950
H -5.760025 3.781304 -0.246223
H -5.743162 3.484633 1.516248


