%chk=000113653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113653

0 1
 S   0.3621000       1.825100       1.232600    
 N   0.9209000     -0.7226000       1.422600    
 N   -1.351100     -7.2700001E-02  0.7529000    
 N    3.041300       3.272800      -1.441800    
 C    1.309600      -2.704900      5.0900001E-02
 C   0.9547000      -2.162100       1.432600    
 C    2.698200      -2.262900     -0.4178000    
 C   -3.622900      0.5487000      0.1409000    
 C   -2.227500       1.050900      0.4945000    
 C   -3.631400     -0.3131000      -1.123800    
 C  -0.1325000      0.1111000       1.112100    
 C    3.049100      -2.872300      -1.766300    
 C   -5.031300     -0.8126000      -1.446100    
 C    1.704500       1.846400      2.1600001E-02
 C    1.956500       3.268100     -0.4649000    
 H   0.5583000      -2.378500     -0.6791000    
 H    1.268300      -3.800300      8.4399998E-02
 H  -1.6500000E-02  -2.557800       1.750300    
 H    1.693600      -2.501000       2.167400    
 H    3.452100      -2.563600      0.3189000    
 H    2.744500      -1.171800     -0.5035000    
 H   -4.022700     -3.5200000E-02  0.9795000    
 H   -4.288400       1.409300      1.9000000E-03
 H   -1.872200       1.657600     -0.3481000    
 H   -2.343400       1.685300       1.382200    
 H   -3.251500      0.2686000      -1.971800    
 H   -2.970900      -1.179100      -1.002600    
 H    1.791400     -0.2780000       1.702700    
 H    2.330700      -2.566100      -2.533500    
 H    4.044400      -2.544800      -2.082700    
 H    3.052000      -3.965700      -1.714300    
 H   -5.718100      2.3900000E-02  -1.610100    
 H   -5.016200      -1.422700      -2.354700    
 H   -5.426000      -1.427000     -0.6307000    
 H    1.433300       1.207100     -0.8266000    
 H    2.609700       1.434700      0.4808000    
 H    1.056900       3.685300     -0.9318000    
 H    2.237100       3.919000      0.3708000    
 H    2.784100       2.697800      -2.243200    
 H    3.169800       4.218800      -1.798700    


%chk=000113653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113653

0 1
S 0.679918 2.164156 1.852352
N 1.097783 -0.556812 1.877574
N -1.167850 -0.018909 1.526161
N 2.222216 2.106388 -2.041651
C 0.852686 -2.460561 0.238721
C 0.905709 -2.011191 1.719212
C 2.156539 -2.186599 -0.542214
C -3.224743 0.359334 0.189221
C -2.287385 0.902485 1.291908
C -2.566635 0.306022 -1.206618
C 0.056687 0.348088 1.720927
C 2.047548 -2.556995 -2.037344
C -3.517505 -0.234105 -2.296017
C 1.915070 2.177312 0.401135
C 1.212132 2.138913 -0.969011
H 0.002953 -1.945464 -0.249671
H 0.622826 -3.545677 0.212661
H -0.037556 -2.297069 2.221197
H 1.743333 -2.515425 2.238478
H 2.991288 -2.752434 -0.078511
H 2.412390 -1.112007 -0.442644
H -3.559875 -0.656743 0.477480
H -4.128880 1.001337 0.148833
H -1.931132 1.922760 1.024414
H -2.866459 0.993123 2.234126
H -2.219063 1.322870 -1.484742
H -1.662055 -0.331863 -1.148751
H 1.967473 -0.199521 2.269856
H 1.245025 -1.975761 -2.530184
H 2.992772 -2.359326 -2.576572
H 1.806571 -3.629284 -2.164484
H -4.419082 0.401313 -2.387271
H -3.025894 -0.266590 -3.286169
H -3.855187 -1.259294 -2.052297
H 2.599215 1.318952 0.517031
H 2.493822 3.108392 0.517153
H 0.505047 1.279176 -0.989240
H 0.604520 3.054795 -1.081963
H 2.666698 1.198345 -2.197204
H 1.969583 2.583567 -2.908385


