%chk=000201803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201803

0 1
O 2.595590 -1.354457 2.090730
O -5.646690 -1.171539 -1.439853
O -6.956730 -0.336288 0.354573
O 7.642420 1.142872 -0.848029
N -0.737888 0.494719 -0.430965
N 1.674743 -1.055358 0.024464
C -0.599045 -0.343218 0.806104
C 0.600079 1.023866 -0.857983
C 0.351526 -1.523747 0.526337
C 1.540561 -0.164997 -1.156329
C -1.694116 1.630497 -0.205751
C -3.097490 1.109012 -0.000467
C 2.726239 -0.922594 0.955956
C -3.612671 0.153886 -0.917573
C -3.869015 1.593532 1.056764
C 4.011937 -0.345300 0.456989
C -4.906601 -0.256013 -0.701845
C -5.694283 0.245840 0.377787
C -5.201752 1.169054 1.270804
C 4.544389 0.778633 1.101914
C 4.714258 -0.966098 -0.591025
C -6.959400 -1.247466 -0.792674
C 5.763969 1.316706 0.686957
C 5.933560 -0.452577 -1.018513
C 6.440691 0.688681 -0.369550
H -1.606517 -0.739266 1.066444
H -0.241121 0.232729 1.686232
H 1.064866 1.697849 -0.107446
H 0.458307 1.616328 -1.787840
H 0.497856 -2.124220 1.454998
H -0.083451 -2.196689 -0.246501
H 1.121850 -0.774766 -1.992063
H 2.531085 0.209637 -1.488450
H -1.691073 2.267942 -1.122934
H -1.390521 2.292006 0.636109
H -2.996437 -0.231847 -1.728557
H -3.449595 2.322012 1.749450
H -5.794685 1.553147 2.095201
H 4.005916 1.232058 1.937143
H 4.300107 -1.858428 -1.066610
H -7.088481 -2.268982 -0.411845
H -7.709056 -0.886150 -1.508576
H 6.178644 2.188956 1.181026
H 6.501902 -0.911524 -1.824905
H 7.974123 1.929858 -0.347696


%chk=000201803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201803

0 1
O 2.771663 -1.062983 2.229665
O -5.488339 -1.627279 -1.378079
O -7.127642 -0.639700 0.078293
O 8.009432 0.566408 -1.106965
N -0.840478 0.746461 -0.244094
N 1.670806 -0.599003 0.227402
C -0.628641 -0.034211 1.002409
C 0.432989 1.340471 -0.710619
C 0.403701 -1.149682 0.761228
C 1.485352 0.240459 -0.976232
C -1.925059 1.749854 -0.121119
C -3.309609 1.120912 0.002423
C 2.820017 -0.656270 1.020449
C -3.638799 -0.013643 -0.797822
C -4.278382 1.689809 0.863635
C 4.141786 -0.275000 0.406765
C -4.934943 -0.514963 -0.691684
C -5.898764 0.063329 0.162699
C -5.600740 1.170735 0.957818
C 5.095621 0.365379 1.237551
C 4.526230 -0.646217 -0.910454
C -6.896479 -1.727590 -0.910456
C 6.384579 0.670187 0.760105
C 5.817196 -0.365100 -1.395313
C 6.742707 0.305226 -0.562034
H -1.590407 -0.483397 1.306552
H -0.275428 0.621243 1.837706
H 0.853006 2.064867 0.034705
H 0.248018 1.891738 -1.651976
H 0.634883 -1.671074 1.703480
H -0.004543 -1.869277 0.024933
H 1.135998 -0.392811 -1.816284
H 2.439924 0.709579 -1.257284
H -1.888431 2.375316 -1.036540
H -1.760977 2.442513 0.743184
H -2.883782 -0.463767 -1.447414
H -4.006284 2.555039 1.479011
H -6.346134 1.611467 1.624415
H 4.815019 0.601113 2.268955
H 3.825065 -1.193484 -1.550178
H -7.041820 -2.701942 -0.412447
H -7.572404 -1.580581 -1.770848
H 7.108668 1.175027 1.412815
H 6.128314 -0.663263 -2.400577
H 8.595109 1.012399 -0.445777


