%chk=000234318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234318

0 1
O 5.097933 -1.363869 -0.033012
O 4.676757 0.029633 -1.796770
O -1.534630 2.245431 1.312949
N 0.832808 -0.253195 0.783749
N 2.969818 -1.292247 -0.888784
N -2.030423 0.020510 0.935699
C 1.306669 0.530270 -0.406933
C 1.969733 -1.015561 1.399700
C 1.888213 -0.435858 -1.457077
C 2.544376 -1.992981 0.353570
C 0.201165 0.655073 1.788751
C 4.275123 -0.759971 -0.966548
C -1.192927 1.076249 1.298850
C -3.327387 0.202058 0.328189
C -3.551823 -0.324312 -0.967281
C -4.366909 0.850940 1.032460
C 6.530805 -1.073210 -0.136389
C -4.823681 -0.205017 -1.540163
C -5.627201 0.962948 0.422518
C -2.459350 -1.008887 -1.724657
C -4.153377 1.419631 2.393624
C -5.853331 0.438542 -0.849043
C 6.822507 0.306617 0.413059
H 2.057167 1.308544 -0.146253
H 0.434024 1.068664 -0.840744
H 1.576055 -1.594029 2.263353
H 2.776972 -0.357969 1.789222
H 1.097878 -1.121844 -1.838672
H 2.284174 0.134980 -2.329818
H 3.404788 -2.556146 0.782280
H 1.771859 -2.740453 0.058069
H 0.784719 1.580845 1.999253
H 0.093259 0.128863 2.763376
H -1.612780 -0.906834 0.802989
H 6.943673 -1.890019 0.483670
H 6.836016 -1.184196 -1.192307
H -5.010756 -0.608870 -2.532908
H -6.434755 1.466883 0.950713
H -2.256685 -2.009316 -1.316701
H -1.519348 -0.438643 -1.692978
H -2.710833 -1.142566 -2.785853
H -3.672554 0.698948 3.068222
H -3.480633 2.299775 2.334133
H -5.082218 1.751828 2.870644
H -6.836812 0.531956 -1.307827
H 6.404009 0.442247 1.417484
H 6.385702 1.086929 -0.231108
H 7.900910 0.496226 0.469800


%chk=000234318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234318

0 1
O 4.980548 -1.725156 -0.013184
O 4.582057 -0.494702 -1.982141
O -2.185699 2.642844 1.595402
N 0.730573 0.481889 1.015584
N 2.914163 -0.767178 -0.353615
N -1.961729 0.458987 0.713537
C 1.273619 1.075501 -0.240745
C 1.804620 -0.207889 1.782341
C 1.906849 -0.015126 -1.123835
C 2.439660 -1.322804 0.927384
C -0.036703 1.471106 1.812059
C 4.179499 -0.950742 -0.876163
C -1.508830 1.601503 1.351383
C -3.271908 0.205300 0.187543
C -3.369989 -0.245488 -1.164303
C -4.431688 0.346459 1.006425
C 6.383990 -1.935054 -0.471611
C -4.648338 -0.527062 -1.697923
C -5.694663 0.069543 0.424125
C -2.127235 -0.408623 -2.022275
C -4.341953 0.736577 2.466913
C -5.810783 -0.359456 -0.913910
C 7.278855 -0.760429 -0.066558
H 2.038129 1.855737 -0.011245
H 0.446875 1.562464 -0.789017
H 1.360185 -0.654341 2.690647
H 2.601684 0.507209 2.098955
H 1.116456 -0.709305 -1.476727
H 2.403588 0.427136 -2.002155
H 3.286900 -1.783452 1.454622
H 1.676236 -2.103094 0.728357
H 0.404141 2.490783 1.794145
H -0.056501 1.144353 2.869469
H -1.186794 -0.198797 0.517307
H 6.679171 -2.872199 0.027944
H 6.378670 -2.072354 -1.566971
H -4.730286 -0.867380 -2.736848
H -6.593465 0.179496 1.042115
H -1.463422 -1.214707 -1.648742
H -1.528643 0.521668 -2.045864
H -2.398770 -0.665094 -3.059837
H -3.534367 0.180857 2.980283
H -4.101202 1.810029 2.572435
H -5.291864 0.527329 2.987683
H -6.797402 -0.571622 -1.340274
H 7.238439 -0.589525 1.023409
H 6.968310 0.160244 -0.588274
H 8.327719 -0.976840 -0.343351


