%chk=000211538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211538

0 1
O 6.872158 -2.985753 0.848136
O -0.091747 -2.518875 -0.223053
O -6.402614 -3.238375 0.396888
O 0.060753 7.121055 -0.579742
N 4.197366 -2.191735 0.248589
N 0.925926 -0.506080 -0.550910
N 0.947675 0.840825 -0.570657
C 2.816837 -1.701463 0.552435
C 5.232253 -1.179188 0.639598
C 4.476846 -3.501070 0.922968
C 2.252393 -1.163035 -0.780674
C 6.613656 -1.710586 0.225346
C 5.878673 -3.973721 0.504730
C -0.239788 -1.311305 -0.300418
C -1.494228 -0.541388 -0.150047
C -0.190294 1.503999 -0.376484
C -1.449827 0.820405 -0.166315
C -2.749605 -1.289370 0.006824
C -0.138705 2.979872 -0.394144
C -2.791312 -2.483729 0.745403
C -3.933799 -0.807651 -0.593194
C 0.525664 3.653065 -1.440711
C -0.745282 3.713803 0.634302
C -3.988684 -3.181772 0.915744
C -5.134542 -1.486400 -0.441362
C -5.150534 -2.674319 0.321238
C 0.568902 5.039952 -1.467586
C -0.713147 5.110919 0.627762
C -0.056521 5.759454 -0.425983
C -6.543394 -4.481620 1.126917
C -0.533209 7.972875 0.429909
H 2.785503 -0.915762 1.335921
H 2.160955 -2.527097 0.913055
H 5.228293 -0.953291 1.727856
H 5.014533 -0.229982 0.104999
H 3.715518 -4.237387 0.584807
H 4.414667 -3.441088 2.030563
H 2.956447 -0.440050 -1.250495
H 2.104713 -2.003151 -1.499615
H 7.436042 -1.085326 0.613776
H 6.698032 -1.822322 -0.870020
H 5.934704 -4.177036 -0.579343
H 6.211287 -4.854886 1.080108
H -2.349165 1.425621 -0.036495
H -1.871103 -2.883031 1.184328
H -3.906612 0.102410 -1.194044
H 1.010112 3.075324 -2.230747
H -1.243157 3.195292 1.454702
H -3.998428 -4.101044 1.491611
H -6.055537 -1.131256 -0.897873
H 1.072742 5.582142 -2.265079
H -1.186473 5.666038 1.430151
H -6.285788 -4.335039 2.179566
H -7.614912 -4.690042 1.008767
H -5.938262 -5.265671 0.662470
H -0.283991 8.973492 0.051976
H -1.616309 7.825388 0.462732
H -0.064881 7.793960 1.401911


%chk=000211538-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211538

0 1
O 7.006469 -2.977946 0.656130
O -0.063270 -2.632127 -0.264102
O -6.565103 -3.184996 0.543095
O 0.323504 7.204540 -0.273768
N 4.230459 -2.222232 0.278740
N 0.924042 -0.542161 -0.552340
N 0.983128 0.829808 -0.534382
C 2.911571 -1.610072 0.539563
C 5.324276 -1.231641 0.115784
C 4.615011 -3.265653 1.262946
C 2.223774 -1.211853 -0.790625
C 6.616935 -1.943850 -0.317373
C 5.911895 -3.953072 0.805294
C -0.216265 -1.365135 -0.296320
C -1.478320 -0.616733 -0.111466
C -0.174253 1.490400 -0.291670
C -1.403540 0.778000 -0.088229
C -2.766540 -1.331243 0.046872
C -0.089258 2.974484 -0.266284
C -2.839280 -2.674535 0.512907
C -3.999986 -0.673033 -0.255442
C 1.061090 3.634940 -0.790163
C -1.122850 3.778087 0.278460
C -4.076708 -3.324673 0.698359
C -5.235530 -1.309576 -0.081812
C -5.282672 -2.642438 0.404991
C 1.166882 5.032040 -0.777099
C -1.031808 5.187002 0.299326
C 0.118025 5.819385 -0.233491
C -6.670094 -4.569905 1.014288
C -0.730521 8.063670 0.272548
H 2.983309 -0.710670 1.198102
H 2.267187 -2.350022 1.045949
H 5.512402 -0.677021 1.069782
H 5.041380 -0.490429 -0.654907
H 3.804274 -4.015029 1.326417
H 4.773402 -2.835423 2.283804
H 2.842826 -0.503221 -1.362141
H 2.044406 -2.124163 -1.379674
H 7.465835 -1.241175 -0.355750
H 6.467144 -2.407407 -1.316353
H 5.734250 -4.466840 -0.164029
H 6.265703 -4.680662 1.554390
H -2.315027 1.353894 0.090024
H -1.910375 -3.210285 0.718360
H -3.994097 0.341032 -0.669947
H 1.867596 3.025603 -1.207434
H -2.012417 3.315872 0.719479
H -4.084241 -4.355899 1.063703
H -6.175667 -0.807848 -0.329806
H 2.046027 5.540919 -1.183729
H -1.849000 5.769850 0.734437
H -6.244559 -4.680961 2.030244
H -7.748478 -4.783683 1.037286
H -6.164069 -5.268237 0.320343
H -0.366454 9.091304 0.128858
H -1.684370 7.925466 -0.272679
H -0.887251 7.870550 1.351634


