%chk=000108522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108522

1 1
 S    2.386700       1.588200      0.4271000    
 N    3.672000     -0.5306000     -0.2551000    
 N   -1.097800     -0.9586000      0.3078000    
 C    4.682700      0.5586000     -0.4145000    
 C    4.195700       1.743300      0.4101000    
 C    2.513200     -0.1278000      0.1285000    
 C    4.049700      -1.921300     -0.5817000    
 C    1.313600     -0.9343000      0.3504000    
 C   0.1181000     -0.3738000      0.1537000    
 C   -2.370000     -0.3989000      0.1101000    
 C   -3.518400      -1.168000      0.3214000    
 C   -2.497500      0.9317000     -0.3000000    
 C   -4.782300     -0.6120000      0.1242000    
 C   -3.761500       1.487700     -0.4970000    
 C   -4.903900      0.7158000     -0.2849000    
 H    4.738000      0.7942000      -1.483000    
 H    5.654800      0.1959000     -6.6299997E-02
 H    4.558700       1.672500       1.440900    
 H    4.519000       2.699200     -1.0700000E-02
 H    4.492100      -2.369500      0.3111000    
 H    4.778400      -1.900000      -1.396500    
 H    3.169800      -2.483400     -0.9032000    
 H    1.414300      -1.975100      0.6353000    
 H   4.9800001E-02  0.6422000     -0.1996000    
 H   -1.086400      -1.926100      0.6142000    
 H   -3.439100      -2.204500      0.6403000    
 H   -1.652800       1.586600     -0.4803000    
 H   -5.671800      -1.212900      0.2893000    
 H   -3.857500       2.521900     -0.8151000    
 H   -5.888000       1.148900     -0.4382000    


%chk=000108522-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108522

1 1
S 2.554916 1.747282 -0.616757
N 3.778950 -0.546807 -0.088621
N -1.104499 -0.859745 -0.076670
C 4.905591 0.371476 -0.430554
C 4.408684 1.803167 -0.174188
C 2.527308 -0.028510 -0.226389
C 4.038923 -1.976519 0.178961
C 1.329250 -0.774060 -0.112191
C 0.062280 -0.174585 -0.112783
C -2.433047 -0.321672 -0.012614
C -3.508651 -1.213127 -0.253101
C -2.682110 1.040410 0.290316
C -4.834788 -0.737757 -0.203848
C -4.012933 1.503942 0.328592
C -5.092388 0.622673 0.081929
H 5.188109 0.224594 -1.491433
H 5.776795 0.137571 0.203793
H 4.493129 2.104045 0.879972
H 4.888437 2.542451 -0.829816
H 3.449463 -2.318535 1.046549
H 5.104629 -2.109313 0.417013
H 3.795483 -2.602523 -0.699708
H 1.404655 -1.864300 -0.030353
H -0.025744 0.916337 -0.145205
H -1.056003 -1.884697 -0.109277
H -3.314263 -2.267256 -0.487702
H -1.869125 1.736945 0.518916
H -5.663313 -1.427452 -0.391360
H -4.208347 2.554561 0.565103
H -6.121791 0.991309 0.119727


