%chk=000218367.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218367

0 1
O -3.015837 4.271399 -0.491249
N -0.175771 -0.038313 0.079663
N 2.675742 -0.435784 0.192283
N -4.377571 -1.081596 0.053310
C -1.573111 -0.455888 0.074008
C -2.021412 -1.746850 0.197186
C 0.503786 -0.399426 1.368994
C 0.567714 -0.596376 -1.099618
C -1.264302 -3.030405 0.354158
C 1.939982 0.159218 1.355196
C 2.007968 -0.049637 -1.096700
C -2.333949 -4.144856 0.477693
C -3.449575 -2.011233 0.183848
C -3.723708 -3.482381 0.338873
C -2.558076 0.599933 -0.073271
C -3.935953 0.238803 -0.078530
C 4.095706 -0.111074 0.170799
C -2.199632 1.969685 -0.211419
C -4.942724 1.251505 -0.222801
C 4.986277 -1.109863 -0.294990
C 4.599229 1.120654 0.620818
C -3.196092 2.912190 -0.347789
C -4.586736 2.565799 -0.355707
C 6.363057 -0.841799 -0.291335
C 4.496212 -2.430424 -0.792153
C 5.974327 1.363733 0.622908
C 6.856902 0.382689 0.165351
C -1.656190 4.769758 -0.499582
H 0.527505 -1.497360 1.553623
H -0.070331 0.065524 2.199738
H 0.043098 -0.263777 -2.021830
H 0.587472 -1.708906 -1.109611
H -0.599569 -3.207701 -0.513594
H -0.606724 -3.000785 1.245423
H 1.907280 1.270618 1.328908
H 2.464869 -0.138434 2.288619
H 2.578761 -0.498235 -1.937809
H 1.997095 1.051072 -1.254122
H -2.188229 -4.912672 -0.299894
H -2.245367 -4.661283 1.448077
H -4.363722 -3.674799 1.220537
H -4.282447 -3.872575 -0.532786
H -1.141748 2.228196 -0.203477
H -5.989554 0.938479 -0.222582
H 3.919038 1.895810 0.968925
H -5.320060 3.362918 -0.467444
H 7.058002 -1.601541 -0.646440
H 3.558065 -2.726090 -0.293467
H 4.288342 -2.392531 -1.870071
H 5.221576 -3.235287 -0.621603
H 6.355331 2.318990 0.978303
H 7.928837 0.569844 0.164063
H -1.104552 4.352524 -1.347052
H -1.165330 4.548734 0.452666
H -1.813000 5.848906 -0.622544


%chk=000218367-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218367

0 1
O -2.401605 4.201220 0.053160
N -0.196389 -0.572496 0.048406
N 2.640129 -0.147160 0.145052
N -4.511152 -1.017528 -0.023320
C -1.608161 -0.751295 0.011393
C -2.242490 -2.002531 -0.086841
C 0.444630 -0.028106 1.268002
C 0.705814 -1.446928 -0.724916
C -1.670675 -3.415546 -0.096388
C 1.734887 0.734799 0.910966
C 1.981788 -0.661789 -1.084673
C -2.900079 -4.315420 0.256164
C -3.680309 -2.066324 -0.116405
C -4.146363 -3.509904 -0.211530
C -2.468678 0.425145 0.049207
C -3.904186 0.233418 0.060565
C 4.023597 0.223954 0.051638
C -1.944410 1.757467 0.028936
C -4.754792 1.384836 0.131621
C 5.019756 -0.778806 -0.195852
C 4.433209 1.572390 0.254833
C -2.809941 2.857330 0.080974
C -4.227397 2.672255 0.152736
C 6.375796 -0.378154 -0.272341
C 4.665314 -2.251653 -0.304573
C 5.793032 1.941407 0.189391
C 6.774159 0.965442 -0.089967
C -0.965303 4.465199 -0.035481
H 0.707069 -0.854770 1.967585
H -0.261283 0.641905 1.785769
H 0.193358 -1.761413 -1.650131
H 1.004868 -2.357172 -0.156842
H -1.272927 -3.680500 -1.097388
H -0.842972 -3.550403 0.622454
H 1.460419 1.652582 0.332210
H 2.243918 1.050678 1.838809
H 2.678973 -1.316323 -1.630259
H 1.707309 0.182867 -1.759907
H -2.834203 -5.313404 -0.210448
H -2.946307 -4.459047 1.351568
H -5.046855 -3.692976 0.397942
H -4.407569 -3.750229 -1.262045
H -0.864831 1.887111 -0.080578
H -5.834374 1.209011 0.155035
H 3.681082 2.343862 0.449701
H -4.866467 3.559141 0.198444
H 7.137942 -1.147103 -0.451551
H 3.776488 -2.482189 0.310002
H 4.440017 -2.560600 -1.344944
H 5.506674 -2.877813 0.040092
H 6.081040 2.987276 0.345977
H 7.832969 1.239997 -0.147259
H -0.537569 4.055431 -0.971642
H -0.424321 4.040871 0.833937
H -0.871727 5.561089 -0.032789


