%chk=000018800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018800

0 1
 S   -1.431600      0.9470000       1.096400    
 N    4.223300       1.640500     -0.4525000    
 N    3.798700      -4.132700      0.3950000    
 C    2.417700      0.3813000     -9.0000004E-02
 C    3.491300     -0.4544000     -0.5071000    
 C    2.903500       1.690200     -6.3900001E-02
 C    3.447500      -1.920200     -0.6808000    
 C    4.587500      0.3486000     -0.7227000    
 C    1.075100      0.1489000      0.2690000    
 C    2.110700       2.782900      0.3049000    
 C   0.2703000       1.232100      0.6401000    
 C    3.821300      -2.688400      0.6002000    
 C   0.7821000       2.528100      0.6570000    
 C   -2.098000      0.2049000     -0.4195000    
 C   -3.556700     -0.1370000     -0.2902000    
 C   -4.514800      0.8056000     -0.6398000    
 C   -3.927900      -1.390800      0.1775000    
 C   -5.867900      0.4887000     -0.5198000    
 C   -5.281100      -1.707600      0.2975000    
 C   -6.251100     -0.7678000     -5.1199999E-02
 H    2.447300      -2.227700      -1.012300    
 H    4.133100      -2.209600      -1.488600    
 H    5.594100      0.1186000      -1.043000    
 H    4.834200       2.442100     -0.5272000    
 H   0.6864000     -0.8658000      0.2640000    
 H    2.508500       3.792100      0.3182000    
 H    3.121600      -2.433900       1.404600    
 H    4.821400      -2.390600      0.9371000    
 H   0.1542000       3.368800      0.9455000    
 H   -1.535600     -0.7015000     -0.6707000    
 H   -1.950400      0.9004000      -1.254300    
 H    4.109200      -4.599800       1.246000    
 H    4.468000      -4.385400     -0.3309000    
 H   -4.227800       1.787800      -1.005000    
 H   -3.181100      -2.130200      0.4531000    
 H   -6.623200       1.220500     -0.7910000    
 H   -5.579500      -2.685900      0.6628000    
 H   -7.304600      -1.014400      4.2500000E-02


%chk=000018800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018800

0 1
S -1.362151 0.352888 1.140728
N 4.198369 1.714045 -0.727014
N 4.109940 -4.104864 0.792921
C 2.566923 0.217840 -0.170915
C 3.754631 -0.529548 -0.558563
C 2.875319 1.620775 -0.286184
C 3.906942 -2.030010 -0.563584
C 4.721539 0.419175 -0.890542
C 1.267878 -0.168589 0.253595
C 1.933099 2.628755 0.018259
C 0.324194 0.832714 0.555964
C 4.050519 -2.632165 0.861283
C 0.654700 2.218264 0.444669
C -2.294723 0.424482 -0.553678
C -3.741148 0.048717 -0.359542
C -4.714810 1.039436 -0.067171
C -4.153693 -1.306629 -0.449801
C -6.069419 0.686491 0.122377
C -5.507339 -1.662779 -0.260974
C -6.470155 -0.666592 0.025217
H 3.033254 -2.515344 -1.038727
H 4.794190 -2.318027 -1.162478
H 5.743699 0.268116 -1.234180
H 4.700058 2.579627 -0.910852
H 0.992539 -1.224364 0.347394
H 2.178228 3.693473 -0.063654
H 3.164230 -2.351768 1.459958
H 4.932559 -2.157395 1.355184
H -0.101598 2.964837 0.708703
H -1.765846 -0.274177 -1.221555
H -2.174835 1.453966 -0.927713
H 3.952459 -4.582289 1.684795
H 4.932594 -4.469294 0.302052
H -4.405702 2.088710 0.013055
H -3.408370 -2.081361 -0.666755
H -6.810159 1.463039 0.344420
H -5.811358 -2.712942 -0.336764
H -7.520854 -0.941813 0.170969


