%chk=000123899.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123899

1 1
 S   4.9000001E-03  -1.816500     -4.3600000E-02
 N   4.4900000E-02   1.345000      3.4600001E-02
 N    4.979000     -0.9985000     -3.5999998E-02
 N   -5.069400     -0.9721000     -1.3800000E-02
 C    1.177300      0.7122000      1.6200000E-02
 C   -1.194100      0.6978000      2.1199999E-02
 C    1.373100     -0.7681000     -2.0900000E-02
 C   -1.358600     -0.6882000     -1.3000000E-02
 C    2.428200       1.551000      3.4200002E-02
 C   -2.335700       1.516600      4.4000000E-02
 C    3.809100     -0.4689000     -1.8999999E-02
 C   -3.777400     -0.4081000     -1.3000000E-03
 C    2.599500      -1.306900     -3.7099998E-02
 C   -2.653800      -1.233100     -2.4300000E-02
 C    3.643500      0.9906000      1.7500000E-02
 C   -3.618200      0.9705000      3.2600001E-02
 C    2.262500       3.044000      7.1199998E-02
 C   -2.205200       3.007900      8.2900003E-02
 C    5.163700      -2.471900     -7.2800003E-02
 C    6.208600     -0.1653000     -1.9800000E-02
 C   -6.176400     -0.2588000     -0.6198000    
 C   -5.305900      -2.279200      0.5671000    
 H    2.697900      -2.387300     -6.4099997E-02
 H   -2.768300      -2.314600     -6.4700000E-02
 H    4.510300       1.641300      3.1500001E-02
 H   -4.479000       1.632900      6.3500002E-02
 H    3.225000       3.566900      8.1799999E-02
 H    1.715500       3.347300      0.9702000    
 H    1.711400       3.391000     -0.8092000    
 H   -1.670800       3.320700      0.9862000    
 H   -1.665500       3.367100     -0.7998000    
 H   -3.180400       3.506700      9.2399999E-02
 H    4.714600      -2.865000     -0.9894000    
 H    6.230200      -2.713500     -8.0899999E-02
 H    4.718500      -2.909900      0.8252000    
 H    7.093800     -0.8069000     -3.9400000E-02
 H    6.222100      0.4680000     -0.9116000    
 H    6.229100      0.4222000      0.9027000    
 H   -5.882100      0.2098000      -1.565800    
 H   -6.560000      0.5108000      5.8200002E-02
 H   -7.005500     -0.9375000     -0.8495000    
 H   -4.769200      -2.401000       1.514700    
 H   -5.000600      -3.072100     -0.1238000    
 H   -6.369200      -2.426200      0.7875000    


%chk=000123899-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123899

1 1
S -0.016226 -1.856895 0.046944
N -0.000308 1.339037 -0.030252
N 5.100643 -1.026080 0.041149
N -5.124264 -0.975775 0.005175
C 1.204314 0.706621 -0.011719
C -1.211067 0.718648 -0.019018
C 1.403889 -0.730950 0.023717
C -1.424940 -0.717167 0.014494
C 2.397083 1.547774 -0.028060
C -2.395336 1.571663 -0.041812
C 3.839156 -0.475561 0.025053
C -3.857215 -0.437718 -0.000991
C 2.670944 -1.309891 0.041772
C -2.697504 -1.283751 0.023868
C 3.655826 0.958282 -0.009730
C -3.659733 0.994354 -0.032518
C 2.239015 3.049744 -0.064718
C -2.222334 3.071997 -0.075481
C 5.278885 -2.493932 0.074537
C 6.304888 -0.164932 0.026627
C -6.318982 -0.101982 -0.017366
C -5.316254 -2.441611 0.044272
H 2.767817 -2.397956 0.068838
H -2.805526 -2.370716 0.050168
H 4.531235 1.611384 -0.022506
H -4.528668 1.655924 -0.048574
H 3.219219 3.553422 -0.072704
H 1.662679 3.406308 0.806847
H 1.670148 3.364156 -0.957187
H -1.639288 3.420986 0.794518
H -1.653781 3.382674 -0.969582
H -3.197588 3.585275 -0.079281
H 4.825396 -2.972635 -0.813349
H 6.351890 -2.731102 0.077527
H 4.829153 -2.931870 0.985172
H 7.202595 -0.798733 0.043836
H 6.342274 0.457392 -0.886303
H 6.335676 0.496915 0.911577
H -6.335501 0.531490 -0.923016
H -6.357420 0.549619 0.875133
H -7.223723 -0.726026 -0.022706
H -4.882791 -2.878840 0.963136
H -4.855629 -2.929329 -0.835028
H -6.391246 -2.669511 0.033342


