%chk=000125601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000125601

0 1
O 0.120324 1.955597 -0.224229
O -6.394495 -0.582035 1.054843
N 4.232998 -0.210321 0.110986
N 0.573337 -0.210031 -0.804301
N -5.813166 -0.663882 0.023052
C 2.766795 -0.368115 0.369736
C 4.662895 1.214668 0.319023
C 5.048805 -1.154941 0.943840
C 2.031904 0.016611 -0.934198
C 5.976942 1.472894 -0.418857
C 4.915817 -2.580790 0.406662
C -0.280365 0.822079 -0.420939
C -1.725489 0.416849 -0.289838
C -2.351149 0.551924 0.957398
C -2.433711 -0.049474 -1.403619
C -3.694489 0.203893 1.093585
C -3.781175 -0.395124 -1.272700
C -4.407359 -0.273111 -0.020924
H 2.540749 -1.424129 0.630558
H 2.394761 0.248636 1.215500
H 3.875185 1.885047 -0.095626
H 4.765754 1.480709 1.393051
H 6.115212 -0.839637 0.873791
H 4.779412 -1.122821 2.021375
H 2.420833 -0.581134 -1.788019
H 2.218935 1.090380 -1.178919
H 6.817059 0.935337 0.034762
H 5.911302 1.139082 -1.463561
H 6.221623 2.540105 -0.421494
H 3.911498 -2.988875 0.562741
H 5.110151 -2.609102 -0.674455
H 5.630761 -3.251671 0.893787
H 0.246304 -1.165709 -0.887509
H -1.791120 0.941119 1.810069
H -1.941489 -0.130302 -2.373800
H -4.203274 0.301441 2.055955
H -4.347873 -0.756170 -2.134326


%chk=000125601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125601

0 1
O 0.268341 1.714419 0.074589
O -6.561517 0.296889 0.954672
N 4.230763 -0.271354 0.175739
N 0.577774 -0.386501 -0.875351
N -5.905049 -0.377451 0.080171
C 2.802794 -0.642297 0.282829
C 4.487973 1.138363 0.586073
C 5.159486 -1.249770 0.799285
C 2.036114 -0.215607 -0.998597
C 5.708609 1.756549 -0.121364
C 5.325868 -2.534500 -0.034765
C -0.215353 0.608827 -0.331962
C -1.696906 0.323574 -0.240008
C -2.443597 1.081194 0.707051
C -2.361398 -0.619470 -1.069555
C -3.823976 0.882744 0.852115
C -3.748532 -0.820449 -0.935602
C -4.474371 -0.077128 0.028675
H 2.718188 -1.737804 0.408358
H 2.307855 -0.172291 1.164556
H 3.589912 1.733429 0.336573
H 4.612514 1.216550 1.695236
H 6.146499 -0.761075 0.889573
H 4.841269 -1.511738 1.840073
H 2.404650 -0.798164 -1.860602
H 2.226949 0.852301 -1.195960
H 6.640828 1.208191 0.107163
H 5.564250 1.738705 -1.215647
H 5.849726 2.805062 0.200975
H 4.369267 -3.076272 -0.153801
H 5.704088 -2.286152 -1.041623
H 6.039769 -3.223880 0.453622
H 0.172804 -1.301592 -1.075899
H -1.903945 1.822684 1.304718
H -1.814858 -1.169005 -1.844170
H -4.418922 1.445823 1.579218
H -4.293666 -1.533806 -1.562958


