%chk=000022931.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022931

2 1
 S  -1.3400000E-02   2.537000      9.9999997E-05
 N    2.779900     -0.5216000      5.0600000E-02
 N   -2.753500     -0.5064000     -6.0899999E-02
 C    1.722200      0.4455000      0.5623000    
 C   -1.728400      0.4415000     -0.5615000    
 C    1.244800       1.350500     -0.5616000    
 C   -1.256500       1.351500      0.5607000    
 C    3.929000      0.2629000     -0.5661000    
 C    3.302000      -1.360800       1.207900    
 C    2.166500      -1.434200      -1.001500    
 C   -2.161300      -1.438000       1.006100    
 C   -3.933800      0.2479000      0.5673000    
 C   -3.297500      -1.375900      -1.203300    
 H   0.9266000     -0.1770000      0.9802000    
 H    2.177500       1.026100       1.374100    
 H  -0.9251000     -0.1707000     -0.9801000    
 H   -2.179400       1.022800      -1.375500    
 H    2.059200       1.988600     -0.9157000    
 H   0.8630000      0.8270000      -1.437900    
 H   -2.075500       1.983200      0.9160000    
 H  -0.8707000      0.8300000       1.436600    
 H    4.247800       1.035000      0.1405000    
 H    4.752300     -0.4348000     -0.7512000    
 H    3.619400      0.6962000      -1.520600    
 H    2.462500      -1.912700       1.640900    
 H    4.056500      -2.054500      0.8250000    
 H    3.744200     -0.6896000       1.950200    
 H    1.254100      -1.878700     -0.5934000    
 H    1.958400     -0.8725000      -1.914700    
 H    2.893200      -2.220300      -1.231200    
 H   -1.953600     -0.8759000       1.918900    
 H   -2.901300      -2.213600       1.227700    
 H   -1.250900      -1.890600      0.6027000    
 H   -4.269800       1.013500     -0.1381000    
 H   -4.737200     -0.4727000      0.7515000    
 H   -3.629700      0.6860000       1.521100    
 H   -4.044500      -2.064300     -0.7973000    
 H   -3.749200     -0.7147000      -1.948600    
 H   -2.459900      -1.930100      -1.636900    


%chk=000022931-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022931

2 1
S -0.002970 0.893525 0.008924
N 4.061878 -0.199580 0.277540
N -4.063592 -0.209928 -0.275525
C 2.702032 0.547418 0.282171
C -2.705266 0.539929 -0.280578
C 1.460423 -0.329776 0.038249
C -1.462040 -0.334419 -0.034428
C 4.346150 -0.818892 -1.092715
C 5.154607 0.834951 0.586462
C 4.096342 -1.287465 1.352691
C -4.092887 -1.303416 -1.345002
C -4.350069 -0.822648 1.097256
C -5.157742 0.820651 -0.592486
H 2.627604 1.045611 1.264474
H 2.782361 1.325740 -0.497602
H -2.631025 1.036705 -1.263560
H -2.788065 1.319380 0.497854
H 1.488513 -0.850610 -0.932164
H 1.287333 -1.046558 0.856903
H -1.493341 -0.860627 0.932983
H -1.282634 -1.046353 -0.855962
H 4.302157 -0.031883 -1.861098
H 5.352341 -1.264527 -1.077420
H 3.604985 -1.601837 -1.307615
H 4.972661 1.267854 1.581834
H 6.134107 0.333648 0.572627
H 5.131014 1.625754 -0.178620
H 3.843245 -0.841231 2.326681
H 3.380144 -2.082606 1.100161
H 5.110931 -1.712097 1.393311
H -3.375156 -2.095306 -1.086629
H -5.106270 -1.730919 -1.385653
H -3.838781 -0.861612 -2.320745
H -4.310035 -0.031471 1.861548
H -5.355127 -1.270812 1.081615
H -3.607634 -1.602638 1.318417
H -6.136307 0.317557 -0.577381
H -5.137084 1.616091 0.167878
H -4.974902 1.248000 -1.590096


