%chk=000056822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056822

0 1
 O  -0.3941000     -0.7618000       1.492800    
 O    2.273100     -0.7778000       1.003200    
 N   -2.787200     -0.5480000      0.1340000    
 N   0.6697000      0.2687000     -0.3327000    
 N    3.646100     -0.9829000       1.066400    
 C   -1.728100      0.4261000     -0.1334000    
 C   -2.054200       1.845600      0.3915000    
 C   -2.463800      -1.834500     -0.4808000    
 C   -4.071600     -5.3300001E-02 -0.3591000    
 C  -0.4156000     -0.1058000      0.4551000    
 C  -0.9998000       2.895200      2.0900000E-02
 C   -2.263600       1.839500       1.909700    
 C   -3.515900      -2.878600     -0.1689000    
 C   -4.052000      0.1402000      -1.861300    
 C    2.009800     -4.4599999E-02 -9.1399997E-02
 C    3.134200      0.2579000     -0.7736000    
 C    4.138900     -0.3551000     -5.1000002E-03
 C    3.283700       1.037300      -2.013400    
 C    5.590400     -0.3682000     -0.2538000    
 H   -1.565500      0.5051000      -1.216700    
 H   -2.968800       2.222400     -7.7600002E-02
 H   -2.284500      -1.780900      -1.560600    
 H   -1.536600      -2.239700     -6.1299998E-02
 H   -4.878600     -0.7471000     -9.6500002E-02
 H   -4.394500      0.8618000      0.1459000    
 H   -1.350800       3.898400      0.2882000    
 H  -0.8051000       2.890300      -1.056500    
 H  -5.4600000E-02   2.733100      0.5480000    
 H   -2.577500       2.833000       2.250100    
 H   -1.343400       1.591200       2.448100    
 H   -3.041800       1.135100       2.217900    
 H   -3.769100      -2.895400      0.8969000    
 H   -4.433100      -2.740500     -0.7493000    
 H   -3.133800      -3.873400     -0.4254000    
 H   -3.345300      0.9003000      -2.204100    
 H   -3.891900     -0.7807000      -2.427600    
 H   -5.040800      0.5019000      -2.171400    
 H   0.5055000      0.8192000      -1.171500    
 H    4.281400       1.481200      -2.090600    
 H    3.128400      0.3966000      -2.887300    
 H    2.557600       1.855800      -2.057000    
 H    6.008700      0.6359000     -0.1301000    
 H    6.116200      -1.038100      0.4347000    
 H    5.804900     -0.7056000      -1.273200    


%chk=000056822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056822

0 1
O 0.128267 0.187414 1.064488
O 2.399390 -1.071268 -2.229620
N -2.668745 -0.386759 0.119052
N 0.590901 0.009942 -1.219977
N 3.855041 -1.252587 -2.092184
C -1.728331 0.536220 -0.561138
C -2.036940 2.053077 -0.288309
C -2.298877 -1.818089 -0.071816
C -4.107904 -0.097758 -0.123207
C -0.273201 0.219833 -0.130264
C -1.032490 2.965814 -1.033024
C -2.097055 2.397594 1.216235
C -3.114191 -2.787701 0.803053
C -4.608149 -0.257837 -1.586047
C 1.964378 -0.253827 -1.170661
C 3.034691 0.102866 -0.358178
C 4.170392 -0.556603 -0.972832
C 3.086806 1.016741 0.836593
C 5.600461 -0.526080 -0.511111
H -1.771899 0.409047 -1.681056
H -3.034382 2.247694 -0.733329
H -2.375379 -2.130434 -1.145422
H -1.236909 -1.921720 0.213917
H -4.690070 -0.768319 0.532544
H -4.325625 0.924866 0.230260
H -1.347596 4.021573 -0.949009
H -0.968978 2.718526 -2.110522
H -0.017396 2.887151 -0.601953
H -2.430098 3.443626 1.352995
H -1.106247 2.278229 1.686398
H -2.788923 1.727525 1.753852
H -3.089572 -2.459176 1.857032
H -4.168706 -2.870500 0.484361
H -2.672310 -3.798992 0.744458
H -4.100328 0.442350 -2.275086
H -4.444578 -1.284688 -1.960486
H -5.692632 -0.049083 -1.638353
H 0.163023 -0.059138 -2.148260
H 4.002691 0.835009 1.424860
H 3.095889 2.081215 0.530847
H 2.208090 0.860778 1.482974
H 5.698445 -0.967056 0.497719
H 6.235446 -1.099959 -1.205240
H 5.980602 0.510282 -0.461354


