%chk=000121467.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121467

0 1
 S   0.8652000      -2.060200     -0.6365000    
 N   -2.701700     -0.1678000      0.2744000    
 N    3.465100      -1.983600     -0.3436000    
 N    2.214000      -1.417900       1.578100    
 C   -1.751000      -1.040500     -0.4262000    
 C  -0.3163000     -0.8795000      0.1476000    
 C   0.2424000      0.5295000      3.0999999E-02
 C   -1.815800     -0.6766000      -1.914400    
 C   -2.694700     -0.4589000       1.705500    
 C   -4.042800     -0.3341000     -0.2793000    
 C   0.9518000      0.8761000      -1.101800    
 C   2.5000000E-02   1.422600       1.061300    
 C    1.464800       2.168900      -1.208600    
 C   0.5379000       2.715400      0.9545000    
 C    2.298300      -1.781700      0.3384000    
 C    1.257900       3.088400     -0.1804000    
 H   -2.050800      -2.092600     -0.3134000    
 H  -0.3017000      -1.192700       1.194900    
 H   -1.006000      -1.133800      -2.490500    
 H   -2.732700      -1.052200      -2.383000    
 H   -1.768800      0.4050000      -2.086900    
 H   -3.399500      0.2093000       2.216000    
 H   -1.756200     -0.3237000       2.235200    
 H   -3.026700      -1.486500       1.902000    
 H   -4.778100      0.1922000      0.3422000    
 H   -4.352200      -1.384600     -0.3313000    
 H   -4.143600      0.1234000      -1.268600    
 H    1.103400      0.2203000      -1.951800    
 H  -0.4871000       1.165000       1.976700    
 H    2.016600       2.463400      -2.096600    
 H   0.3855000       3.429000       1.759100    
 H    1.657200       4.095000     -0.2636000    
 H    4.367100      -1.854700      0.1016000    
 H    3.462700      -2.265300      -1.317800    
 H    3.161400      -1.309300       1.956100    


%chk=000121467-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121467

0 1
S 1.635926 -1.299999 -0.775440
N -2.170045 -0.468408 0.628045
N 2.956945 -3.401941 0.236324
N 1.234938 -2.476030 1.684253
C -1.169055 -0.920177 -0.381524
C 0.219333 -0.288859 0.022836
C 0.355944 1.192483 -0.284561
C -1.544327 -0.603126 -1.839320
C -2.189592 -1.328764 1.829265
C -3.525248 -0.114765 0.176578
C 0.953194 1.691306 -1.470990
C -0.191596 2.123019 0.639256
C 1.012089 3.080040 -1.725234
C -0.140533 3.511813 0.383335
C 1.937354 -2.520995 0.585181
C 0.463666 3.997255 -0.799378
H -1.030212 -2.024379 -0.299641
H 0.368880 -0.490381 1.098373
H -0.738539 -0.965914 -2.502643
H -2.477904 -1.113828 -2.133098
H -1.662409 0.480578 -2.010249
H -2.686964 -0.801050 2.664778
H -1.158945 -1.582012 2.132282
H -2.734704 -2.291540 1.657739
H -4.066488 0.356185 1.018846
H -4.134553 -0.990772 -0.163439
H -3.488732 0.619375 -0.643598
H 1.388854 0.993366 -2.195826
H -0.670696 1.743916 1.547233
H 1.486341 3.445054 -2.643600
H -0.566734 4.213645 1.109632
H 0.510927 5.074701 -0.994858
H 3.236697 -4.143255 0.875484
H 3.452828 -3.308698 -0.648629
H 1.483961 -3.180543 2.402885


