%chk=000273505.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273505

0 1
O -2.882689 -0.831208 -0.909042
N -0.536293 0.422275 -0.246458
N -1.740318 0.850115 0.257025
N -4.071123 0.590937 0.500424
C 4.727409 -1.388702 0.237007
C 4.201556 -0.173786 -0.600751
C 5.392283 -0.871028 1.535332
C 6.539287 0.110682 1.260792
C 5.245949 0.919693 -0.728702
C 3.558832 -2.321514 0.600839
C 5.741870 -2.176667 -0.612287
C 6.271339 1.049055 0.124083
C 2.971154 0.437256 0.021937
C 5.044071 1.856459 -1.879022
C 1.783448 0.467608 -0.592580
C 0.572297 1.066570 0.009708
C 0.719055 2.317304 0.826276
C -2.893840 0.097167 -0.136727
C -5.388764 0.070132 0.291996
C -6.434064 0.676923 1.021705
C -5.658876 -0.988618 -0.591570
C -7.739816 0.214206 0.855149
C -6.973044 -1.432884 -0.740339
C -8.016366 -0.838287 -0.022794
H 3.959207 -0.557919 -1.624902
H 5.765765 -1.724409 2.130025
H 4.627204 -0.378209 2.164485
H 7.469792 -0.455107 1.038048
H 6.754946 0.691018 2.181056
H 3.912083 -3.229658 1.099182
H 2.837280 -1.840871 1.270167
H 3.002453 -2.634440 -0.290029
H 6.205281 -2.981171 -0.032930
H 5.267618 -2.635076 -1.485656
H 6.547641 -1.529530 -0.977062
H 7.001527 1.849257 0.018064
H 3.128664 0.862918 1.014391
H 5.674382 2.751651 -1.812055
H 4.001136 2.197223 -1.942491
H 5.283048 1.362773 -2.831447
H 1.625935 0.014764 -1.577000
H 0.594303 2.113099 1.898457
H 1.713988 2.771369 0.702790
H -0.003391 3.089916 0.532178
H -1.810068 1.668107 0.864847
H -4.003851 1.354158 1.172883
H -6.236528 1.494901 1.707757
H -4.850972 -1.464351 -1.158039
H -8.549433 0.679933 1.416522
H -7.184110 -2.254511 -1.425637
H -9.036157 -1.192923 -0.146903


%chk=000273505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273505

0 1
O -3.076640 -0.638518 -1.384091
N -0.631414 -0.053730 -0.150965
N -1.845024 0.334299 0.384000
N -4.172254 0.385702 0.444291
C 5.206056 -1.257274 0.415016
C 4.240010 -0.380405 -0.469017
C 5.940097 -0.331161 1.428251
C 6.775450 0.771811 0.736833
C 4.949936 0.862123 -1.041291
C 4.406291 -2.337589 1.183470
C 6.230258 -1.965915 -0.511961
C 6.068415 1.378650 -0.459475
C 2.996557 0.089011 0.271855
C 4.316070 1.483810 -2.270645
C 1.716317 -0.135622 -0.152190
C 0.478310 0.327986 0.480108
C 0.477452 1.169969 1.746992
C -3.044236 -0.030486 -0.286991
C -5.541213 0.253736 0.078913
C -6.507268 0.756929 0.993913
C -5.971175 -0.345421 -1.135926
C -7.882610 0.664947 0.701628
C -7.353029 -0.427401 -1.412551
C -8.316821 0.071505 -0.506688
H 3.903169 -1.009353 -1.321186
H 6.592887 -0.944900 2.080250
H 5.188471 0.140804 2.092267
H 7.749030 0.354817 0.399997
H 7.032412 1.565352 1.467410
H 5.093463 -2.998477 1.745519
H 3.697605 -1.886088 1.901106
H 3.819194 -2.967592 0.488577
H 6.977153 -2.521157 0.086798
H 5.717622 -2.693431 -1.169593
H 6.767619 -1.248380 -1.155969
H 6.531795 2.271650 -0.904828
H 3.187450 0.687145 1.175046
H 4.827741 2.416200 -2.567224
H 3.247399 1.714125 -2.096513
H 4.352515 0.785654 -3.131040
H 1.545793 -0.724881 -1.063631
H -0.025852 0.644097 2.583531
H 1.499572 1.403481 2.076496
H -0.042058 2.136859 1.588491
H -1.892688 0.899691 1.242925
H -4.015065 0.823034 1.355309
H -6.180380 1.220835 1.934590
H -5.228394 -0.735736 -1.833590
H -8.613362 1.057261 1.417672
H -7.676287 -0.890844 -2.351562
H -9.385241 -0.000526 -0.735623


