%chk=000178950.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178950

0 1
 S    3.066800       1.940500      0.5424000    
 F   -5.050300      0.8688000      6.8000001E-03
 N    4.382300     -0.8270000      0.1834000    
 C  -0.1277000       1.447100      0.3194000    
 C   0.8674000      0.3124000      0.1926000    
 C   0.1965000     -0.9121000     -2.4800001E-02
 C   -1.446200      0.7216000      0.1485000    
 C   -1.228300     -0.6600000     -5.1899999E-02
 C    2.247700      0.3773000      0.2667000    
 C   0.9109000      -2.089400     -0.1707000    
 C   -2.722300       1.256500      0.1719000    
 C   -2.297200      -1.521900     -0.2319000    
 C    2.967600     -0.8097000      0.1199000    
 C    2.306000      -2.030800     -9.6600004E-02
 C   -3.799600      0.3874000     -9.4999997E-03
 C   -3.589400     -0.9878000     -0.2097000    
 C    3.315700       2.526900      -1.156300    
 H  -7.4100003E-02   1.909100       1.309600    
 H   6.5000001E-03   2.181400     -0.4802000    
 H   0.4143000      -3.039300     -0.3382000    
 H   -2.886300       2.317100      0.3261000    
 H   -2.150900      -2.585600     -0.3872000    
 H    2.875300      -2.951000     -0.2099000    
 H   -4.444500      -1.644100     -0.3487000    
 H    4.886800      3.6300000E-02  0.3353000    
 H    4.885900      -1.696900      7.3100001E-02
 H    3.938200       1.822300      -1.714100    
 H    3.818300       3.497300      -1.133000    
 H    2.354800       2.641300      -1.664800    


%chk=000178950-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178950

0 1
S 3.105076 2.007302 0.561819
F -5.196343 0.834560 0.061183
N 4.403873 -0.749387 0.161861
C -0.182281 1.452967 0.350531
C 0.841048 0.334228 0.194359
C 0.173328 -0.907548 -0.038900
C -1.510326 0.726150 0.176625
C -1.279069 -0.667434 -0.051443
C 2.241542 0.402558 0.252106
C 0.930028 -2.088024 -0.212470
C -2.814571 1.245666 0.217943
C -2.367385 -1.549585 -0.240550
C 3.015427 -0.796705 0.093410
C 2.334187 -2.031175 -0.143570
C -3.873285 0.335599 0.024795
C -3.686748 -1.040550 -0.202084
C 3.503044 2.489905 -1.232947
H -0.099713 1.945124 1.338199
H -0.040542 2.251809 -0.402877
H 0.436840 -3.049639 -0.394175
H -3.025331 2.305181 0.391386
H -2.204403 -2.618338 -0.415381
H 2.926129 -2.946012 -0.267611
H -4.557339 -1.687586 -0.343445
H 4.845099 0.119795 0.465124
H 4.955491 -1.600296 0.104112
H 4.075618 1.682506 -1.713865
H 4.106441 3.410020 -1.184017
H 2.568369 2.676608 -1.781919


