%chk=000178208.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178208

0 1
 S    1.239000       2.646400      6.9999998E-04
 F    4.436300     -0.5667000      2.4999999E-03
 F    2.936600      -1.701300       1.083000    
 F    2.925000      -1.683900      -1.091500    
 N   -1.117700       1.413700      3.0000001E-04
 N   0.8426000      9.1899998E-02  3.0000001E-04
 C   -2.186700      0.4933000      1.9999999E-04
 C   0.2811000       1.250600      7.9999998E-04
 C    2.207600      0.3029000      1.9999999E-04
 C   -3.503400      0.9538000      7.9999998E-04
 C   -1.927000     -0.8772000     -9.9999997E-05
 C    2.613600       1.620900      1.4000000E-03
 C    3.099100     -0.8740000      6.9999998E-04
 C   -4.560600      4.3699998E-02  6.0000003E-04
 C   -2.984300      -1.787200      9.9999997E-05
 C   -4.301200      -1.326900       0.000000    
 H   -1.438500       2.379900      3.0000001E-04
 H    3.617300       2.022200      2.0000001E-03
 H   -3.720900       2.018900      1.2000001E-03
 H  -0.9317000      -1.300700     -3.0000001E-04
 H   -5.585900      0.4022000      7.9999998E-04
 H   -2.783300      -2.854700     -1.9999999E-04
 H   -5.124300      -2.035500     -9.9999997E-05


%chk=000178208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178208

0 1
S 1.319528 2.763073 0.002097
F 4.508606 -0.503784 -0.000301
F 2.952187 -1.717179 1.127715
F 2.953378 -1.713544 -1.133794
N -1.155525 1.450701 0.001343
N 0.861599 0.105751 -0.000223
C -2.191748 0.468324 0.000807
C 0.204352 1.257502 0.001090
C 2.243747 0.311648 -0.000108
C -3.529621 0.948437 0.001200
C -1.936925 -0.927492 -0.000098
C 2.700077 1.614215 0.001336
C 3.142280 -0.884153 -0.001581
C -4.605415 0.039404 0.000675
C -3.028304 -1.822821 -0.000605
C -4.361417 -1.354384 -0.000235
H -1.476239 2.420542 0.001985
H 3.723755 1.977287 0.001741
H -3.726627 2.028683 0.001909
H -0.907095 -1.288476 -0.000313
H -5.632567 0.419676 0.000980
H -2.827928 -2.899855 -0.001285
H -5.197400 -2.061254 -0.000635


