%chk=000290179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290179

0 1
O 2.981972 3.098816 -0.075520
O 3.529728 -2.390260 -0.682662
O 5.878113 -0.649249 -0.485331
O -7.533711 -0.546209 0.307375
O -6.589751 -2.568111 0.247146
N -1.579650 1.574478 -0.052203
N -0.372616 0.927009 -0.124664
C 2.020090 0.973517 -0.269099
C 3.212782 1.750067 -0.210154
C 3.408007 -1.019229 -0.466224
C 4.581913 -0.229388 -0.410792
C 2.149408 -0.414124 -0.406133
C 4.477817 1.169457 -0.283854
C 0.720168 1.645274 -0.191087
C -2.760487 0.807966 0.016463
C -2.753589 -0.607198 0.008083
C -3.985933 1.516943 0.096841
C -5.177068 -0.596319 0.161758
C -3.954408 -1.295404 0.080193
C -5.179334 0.809701 0.168438
C 4.128603 3.984925 -0.017283
C 2.944329 -3.210685 0.363332
C 6.138655 -2.069055 -0.657966
C -6.419563 -1.367750 0.237543
H 1.251900 -1.037557 -0.471444
H 5.393240 1.753429 -0.248000
H 0.770420 2.748252 -0.190332
H -1.806521 -1.144367 -0.056239
H -4.001883 2.603027 0.102894
H -1.646829 2.596206 -0.047826
H -3.966742 -2.390354 0.074394
H -6.133690 1.342760 0.230962
H 4.703329 3.921673 -0.946252
H 4.740908 3.753834 0.859523
H 3.646542 4.965808 0.083987
H 1.859045 -3.079189 0.384615
H 3.391124 -2.971688 1.331236
H 3.208612 -4.222365 0.035293
H 5.612025 -2.447468 -1.542582
H 5.829874 -2.611715 0.239297
H 7.226106 -2.079658 -0.792107
H -8.376137 -1.069701 0.358280


%chk=000290179-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290179

0 1
O 3.008850 3.154422 -0.257873
O 3.767845 -2.438240 0.110611
O 6.022442 -0.645597 -0.095107
O -7.660013 -0.488226 0.247930
O -6.657752 -2.584052 0.291022
N -1.553648 1.460633 -0.020444
N -0.343428 0.799068 -0.032543
C 2.076780 0.940348 -0.109534
C 3.238040 1.767909 -0.189972
C 3.537947 -1.054805 -0.026284
C 4.692266 -0.212795 -0.135869
C 2.260791 -0.466890 -0.029317
C 4.523016 1.187451 -0.209951
C 0.748845 1.543391 -0.097650
C -2.763009 0.764267 0.043737
C -2.800794 -0.660228 0.096041
C -3.982799 1.503896 0.056822
C -5.257721 -0.586310 0.173301
C -4.036676 -1.317089 0.159782
C -5.212840 0.834048 0.120795
C 4.179252 4.031948 -0.326107
C 2.592039 -3.295462 0.282038
C 6.415216 -1.876692 -0.813616
C -6.527512 -1.332786 0.241580
H 1.356687 -1.076506 0.049837
H 5.433410 1.786777 -0.284981
H 0.709961 2.646231 -0.144430
H -1.858929 -1.212554 0.084719
H -3.957213 2.600199 0.017113
H -1.580084 2.490286 -0.056999
H -4.085753 -2.410459 0.200382
H -6.150401 1.396604 0.131363
H 4.772272 3.838732 -1.240883
H 4.823093 3.911189 0.566262
H 3.772572 5.053494 -0.356303
H 1.925690 -3.247412 -0.600963
H 2.024364 -3.017410 1.190845
H 2.992682 -4.314159 0.390462
H 6.108137 -1.819075 -1.875046
H 5.969732 -2.767452 -0.346257
H 7.513339 -1.897652 -0.740461
H -8.469896 -1.062942 0.295847


