%chk=000274803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274803

0 1
O -1.834362 3.000734 -1.643673
O -0.491165 -0.012891 2.362565
O 5.430689 -2.187091 -0.877795
O 6.127426 -0.305603 -0.068723
N -1.003229 0.774511 0.274995
N 5.251190 -1.115780 -0.322688
C -2.425317 1.119517 0.638715
C -3.216919 -0.159167 0.975401
C -0.581565 1.100104 -1.105631
C -0.460029 2.625432 -1.393156
C -3.460468 -1.038408 -0.255644
C -2.444651 2.104435 1.812170
C -4.287067 -2.280849 0.102586
C -0.141420 0.224860 1.215830
C 0.339088 2.853290 -2.680469
C 0.092089 3.448716 -0.235127
C -4.535303 -3.165750 -1.127010
C 1.265801 -0.107450 0.771055
C -5.354017 -4.405449 -0.773689
C 1.519723 -1.331810 0.138335
C 2.308314 0.779651 1.066661
C 2.825767 -1.669237 -0.217955
C 3.617903 0.451768 0.712594
C 3.863773 -0.768121 0.064836
H -2.878568 1.623405 -0.262514
H -4.184419 0.127944 1.431368
H -2.684037 -0.734429 1.763159
H -1.342576 0.684427 -1.814150
H 0.379998 0.602257 -1.353777
H -3.979407 -0.454940 -1.040853
H -2.492404 -1.347254 -0.694501
H -1.823359 2.987825 1.598333
H -3.460821 2.452822 2.020051
H -2.054761 1.641915 2.733149
H -3.769154 -2.865082 0.887866
H -5.254358 -1.977061 0.546952
H -0.116535 2.328812 -3.530027
H 0.375080 3.914414 -2.951913
H 1.375630 2.512463 -2.589255
H -0.593176 3.411679 0.633331
H 0.221332 4.502726 -0.500435
H 1.065111 3.074493 0.099568
H -3.568789 -3.471812 -1.572492
H -5.059134 -2.583499 -1.910240
H -1.923751 3.957079 -1.801645
H -4.846489 -5.024712 -0.025154
H -5.525942 -5.031974 -1.655907
H -6.335207 -4.138259 -0.364872
H 0.700412 -2.025588 -0.062468
H 2.100651 1.714910 1.590512
H 3.049008 -2.622919 -0.709611
H 4.450115 1.128547 0.936643


%chk=000274803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274803

0 1
O -1.804294 3.533574 -1.277440
O -0.557436 0.220045 2.341910
O 5.126608 -2.501916 -1.106063
O 6.040939 -1.031044 0.379596
N -1.126882 0.988708 0.202314
N 5.030643 -1.554560 -0.232271
C -2.565139 1.240310 0.597960
C -3.294731 -0.083656 0.945502
C -0.718591 1.384985 -1.163153
C -0.460153 2.903189 -1.387195
C -3.332647 -1.114076 -0.204743
C -2.689784 2.289132 1.725021
C -4.115968 -2.393248 0.166486
C -0.256082 0.422965 1.117430
C 0.076328 3.106603 -2.822748
C 0.493258 3.506550 -0.337048
C -4.156131 -3.441983 -0.968552
C 1.120909 -0.029851 0.664788
C -4.944048 -4.713548 -0.585942
C 1.282767 -1.077095 -0.281668
C 2.261165 0.484558 1.334906
C 2.560763 -1.589949 -0.574066
C 3.547878 -0.002345 1.041529
C 3.679144 -1.033643 0.084299
H -3.024877 1.671720 -0.309026
H -4.334458 0.186779 1.221477
H -2.833256 -0.532157 1.843875
H -1.509777 1.077524 -1.872129
H 0.206985 0.855113 -1.436950
H -3.790714 -0.653433 -1.106259
H -2.296411 -1.395839 -0.487171
H -2.224542 3.240089 1.415579
H -3.760162 2.484993 1.921648
H -2.219335 1.930715 2.654190
H -3.662541 -2.849213 1.070941
H -5.154702 -2.118470 0.445964
H -0.625036 2.680282 -3.561941
H 0.189950 4.184765 -3.042494
H 1.065609 2.632612 -2.958658
H 0.074703 3.397180 0.677494
H 0.652038 4.583952 -0.533346
H 1.481758 3.012875 -0.363859
H -3.117920 -3.719413 -1.245030
H -4.606878 -2.984043 -1.873001
H -1.709679 4.511506 -1.408706
H -4.495240 -5.206335 0.297055
H -4.956745 -5.447428 -1.412683
H -5.993345 -4.468630 -0.334761
H 0.402832 -1.506914 -0.773269
H 2.125486 1.255425 2.099825
H 2.707957 -2.401069 -1.291819
H 4.440485 0.387313 1.537502


