%chk=000287792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287792

0 1
O 4.683423 -0.436373 1.869839
N 3.154986 -0.763510 0.154625
N 0.961883 1.117928 -0.199884
N 5.515427 -0.505299 -0.290921
C 2.776669 -0.261600 -1.201748
C 2.145774 1.156792 -1.119310
C 3.975200 -0.233273 -2.174918
C 2.036467 -0.663942 1.136334
C 1.410119 0.741772 1.180513
C 5.183376 -1.019491 -1.648890
C 0.256468 2.443574 -0.205472
C 4.466855 -0.545898 0.669648
C -1.114216 2.343486 0.486633
C 6.892584 -0.773531 0.208350
C -2.079946 1.425473 -0.273108
C -3.441274 1.335484 0.427975
C -4.402502 0.413831 -0.335037
C 7.201602 -2.256329 0.404345
C -5.765024 0.319827 0.364851
C -6.725578 -0.602092 -0.398553
C -8.087895 -0.696256 0.301314
C -9.049751 -1.618230 -0.461409
C -10.407457 -1.715822 0.230951
H 1.999490 -0.981050 -1.579045
H 1.791654 1.453334 -2.129405
H 2.914307 1.897026 -0.808704
H 3.664317 -0.641593 -3.154786
H 4.291661 0.812397 -2.370240
H 1.273235 -1.416977 0.834897
H 2.411103 -0.945478 2.148398
H 2.129370 1.465558 1.621706
H 0.516731 0.726507 1.843574
H 6.060260 -0.874978 -2.315547
H 4.958352 -2.109725 -1.628127
H 0.854087 3.249444 0.273802
H 0.106646 2.746564 -1.265660
H -1.544106 3.360335 0.571915
H -0.990364 1.977691 1.525480
H 7.004760 -0.231751 1.180840
H 7.604785 -0.312259 -0.509834
H -1.626857 0.416523 -0.365920
H -2.208655 1.787596 -1.310372
H -3.308295 0.964494 1.462478
H -3.885054 2.344838 0.524065
H -4.535389 0.782826 -1.370186
H -3.957574 -0.595611 -0.430560
H 8.209300 -2.394871 0.813027
H 7.142351 -2.824257 -0.528893
H 6.501248 -2.715035 1.116835
H -6.209280 1.329163 0.461102
H -5.631582 -0.050310 1.399644
H -6.858751 -0.232379 -1.433463
H -6.281067 -1.611502 -0.494286
H -7.956045 -1.066205 1.336220
H -8.533426 0.312346 0.398183
H -8.605805 -2.628458 -0.557005
H -9.184091 -1.248057 -1.496600
H -10.892333 -0.736084 0.308224
H -11.086599 -2.375614 -0.320253
H -10.314273 -2.115664 1.247068


%chk=000287792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287792

0 1
O 4.701834 -0.985323 2.002010
N 3.287713 -0.193714 0.312767
N 1.020126 1.507305 -0.208930
N 5.491986 -0.952469 -0.201119
C 2.975535 0.203741 -1.080251
C 2.219472 1.554442 -1.075490
C 4.259977 0.299378 -1.920668
C 2.138750 -0.168203 1.236534
C 1.420344 1.189441 1.186247
C 5.174454 -0.903725 -1.638682
C 0.212674 2.751052 -0.320121
C 4.504564 -0.726797 0.767190
C -1.195431 2.641912 0.304057
C 6.768883 -1.554431 0.230342
C -2.071924 1.538069 -0.325855
C -3.482812 1.461295 0.298265
C -4.372436 0.364377 -0.329200
C 6.790160 -3.096083 0.123071
C -5.784277 0.291589 0.294888
C -6.676310 -0.805803 -0.328335
C -8.088251 -0.875403 0.296038
C -8.979753 -1.975426 -0.324411
C -10.388111 -2.037561 0.305752
H 2.292364 -0.557242 -1.520903
H 1.901106 1.786684 -2.109710
H 2.936323 2.353099 -0.746521
H 3.992549 0.335084 -2.992689
H 4.804171 1.229843 -1.670792
H 1.415764 -0.962441 0.952643
H 2.523075 -0.378570 2.247449
H 2.091632 1.981868 1.606094
H 0.518304 1.135576 1.820309
H 6.122307 -0.807684 -2.200115
H 4.683911 -1.842618 -1.979460
H 0.751442 3.622577 0.136387
H 0.101273 2.972826 -1.400379
H -1.692487 3.626193 0.180007
H -1.121475 2.478039 1.398029
H 6.926437 -1.258059 1.280311
H 7.580005 -1.114376 -0.383319
H -1.554663 0.564656 -0.222179
H -2.161435 1.723983 -1.417075
H -3.391661 1.276691 1.389661
H -3.987953 2.444958 0.192449
H -4.463246 0.546082 -1.420773
H -3.871089 -0.620073 -0.219627
H 7.771744 -3.489176 0.446959
H 6.614216 -3.437864 -0.913937
H 6.012763 -3.531059 0.774718
H -6.284820 1.276569 0.183742
H -5.692676 0.112370 1.386816
H -6.767409 -0.627874 -1.420573
H -6.176989 -1.791120 -0.215396
H -7.998321 -1.051484 1.388625
H -8.589968 0.108550 0.181135
H -8.477906 -2.958010 -0.209115
H -9.068844 -1.798863 -1.415996
H -10.922450 -1.077173 0.176590
H -11.004773 -2.831770 -0.154164
H -10.327086 -2.242549 1.391399


