%chk=000060245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060245

0 1
 O   -2.648600     -0.9815000      -1.102400    
 O    3.896600      -2.261500     -0.3254000    
 O    4.596100       3.995800     -0.3674000    
 N    2.111200      -1.668900       1.031900    
 N   -5.957500       2.965000      0.9957000    
 C  -0.6373000      -2.611500      0.2580000    
 C   0.6222000      -3.483200      0.2782000    
 C   -1.670700      -3.155100     -0.7337000    
 C    1.648700      -3.003100       1.299400    
 C   -2.948000      -2.324100     -0.7491000    
 C    3.214500      -1.403500      0.2288000    
 C   -3.464300     -8.5000005E-03 -0.5851000    
 C    3.580400      2.7700000E-02  7.1900003E-02
 C   -4.796500     -0.2995000     -0.3162000    
 C   -2.950100       1.258400     -0.3354000    
 C    4.893500      0.3533000     -0.1975000    
 C    2.595900      0.9857000      0.1997000    
 C   -5.626500      0.6905000      0.2098000    
 C   -3.779900       2.248400      0.1907000    
 C   -5.118100       1.964400      0.4633000    
 C    5.237600       1.697000     -0.3456000    
 C    2.940000       2.329300      5.1500000E-02
 C    4.260800       2.685000     -0.2212000    
 H   -1.076500      -2.578800       1.262400    
 H  -0.3714000      -1.583400     -1.3300000E-02
 H   0.3472000      -4.517600      0.5165000    
 H    1.073100      -3.491900     -0.7219000    
 H   -1.228400      -3.149300      -1.737500    
 H   -1.918000      -4.194300     -0.4878000    
 H    1.214400      -3.002900       2.304900    
 H    2.505700      -3.685500       1.306800    
 H   -3.398100      -2.396000      0.2497000    
 H   -3.643200      -2.741900      -1.486200    
 H    1.629300     -0.9185000       1.514600    
 H   -5.238300      -1.268600     -0.5264000    
 H   -1.908200       1.482800     -0.5457000    
 H    5.666800     -0.4032000     -0.2924000    
 H    1.551600      0.7493000      0.3755000    
 H   -6.669200      0.4591000      0.4122000    
 H   -3.371900       3.237100      0.3841000    
 H    6.270300       1.961100     -0.5569000    
 H    2.173300       3.094200      0.1414000    
 H   -6.928000       2.759600       1.192800    
 H   -5.590000       3.889100       1.179200    
 H    5.548900       4.058600     -0.5525000    


%chk=000060245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060245

0 1
O -2.724261 -0.882538 -0.493404
O 4.415270 -2.384349 -0.237397
O 4.929199 4.064875 -0.024974
N 2.373566 -1.874216 0.760020
N -6.597813 3.156046 0.404354
C -0.567332 -2.769377 0.309592
C 0.700362 -3.560664 -0.081364
C -1.780539 -3.105621 -0.584931
C 1.918742 -3.272351 0.827035
C -3.033793 -2.297570 -0.235791
C 3.591227 -1.515305 0.197863
C -3.745761 0.061367 -0.242918
C 3.899194 -0.041936 0.149198
C -5.032422 -0.251291 0.256936
C -3.420217 1.409936 -0.525912
C 5.254257 0.334554 -0.029523
C 2.915585 0.980572 0.241914
C -5.977510 0.777228 0.471360
C -4.361023 2.432211 -0.311702
C -5.661887 2.134511 0.192803
C 5.629462 1.689560 -0.087133
C 3.274812 2.340001 0.180942
C 4.635211 2.693682 0.023915
H -0.823140 -2.980851 1.370044
H -0.378823 -1.681009 0.234406
H 0.487463 -4.648658 -0.030860
H 0.975522 -3.335803 -1.130312
H -1.523396 -2.920591 -1.645928
H -2.027597 -4.183328 -0.494791
H 1.669935 -3.524453 1.877891
H 2.781622 -3.889142 0.522001
H -3.306900 -2.432289 0.833582
H -3.895330 -2.609886 -0.862987
H 1.784262 -1.153130 1.175593
H -5.316466 -1.283412 0.483630
H -2.423940 1.638442 -0.918206
H 5.997884 -0.462622 -0.128352
H 1.850236 0.733131 0.324164
H -6.971155 0.519620 0.858553
H -4.090492 3.470922 -0.538381
H 6.684035 1.964324 -0.219909
H 2.524699 3.133651 0.240737
H -7.525557 2.947347 0.759000
H -6.367030 4.122782 0.198843
H 5.899241 4.214729 -0.150202


