%chk=000293427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293427

0 1
O 0.087718 1.004531 -0.009850
N 6.620590 0.450642 -0.159809
N 1.141131 -1.045668 -0.048285
C 5.239111 0.092245 -0.007255
C 7.593269 -0.561282 0.359536
C 6.964277 1.836352 0.290205
C 4.853072 -1.271278 0.034550
C 4.232782 1.090505 -0.029215
C 7.272418 -1.918514 -0.279300
C 6.025256 2.825457 -0.411881
C 5.870526 -2.377047 0.131492
C 4.574501 2.556079 -0.005096
C 3.499681 -1.619697 0.020446
C 2.881876 0.732132 -0.042505
C 2.511878 -0.618569 -0.025161
C -3.830348 -0.758056 -0.094192
C -2.495004 -0.007627 -0.044532
C -5.014334 0.217871 -0.054108
C -1.304742 -0.975390 -0.081865
C -6.355790 -0.525472 -0.105460
C 0.006017 -0.207318 -0.042765
C -7.538481 0.451688 -0.063231
C -8.879969 -0.291066 -0.115447
C -10.063737 0.686383 -0.071723
C -11.378587 -0.034955 -0.119555
C -12.421726 0.278746 0.646396
H 7.575874 -0.639328 1.467879
H 8.614568 -0.234132 0.066733
H 8.017689 2.037839 -0.001896
H 6.897716 1.954129 1.393191
H 7.328099 -1.828756 -1.384368
H 8.029526 -2.667629 0.013058
H 6.312175 3.863950 -0.168291
H 6.131227 2.719470 -1.511735
H 5.563623 -3.236983 -0.498057
H 5.883224 -2.755594 1.175787
H 4.381620 2.947848 1.016594
H 3.889468 3.118575 -0.673555
H 3.219535 -2.669142 0.046401
H 2.110915 1.510577 -0.064672
H 1.004989 -2.056619 -0.072857
H -3.885033 -1.376023 -1.011182
H -3.900025 -1.466655 0.753574
H -4.961127 0.836943 0.862686
H -4.944764 0.929205 -0.900148
H -2.418399 0.707575 -0.889444
H -2.434751 0.620190 0.868120
H -1.365254 -1.678302 0.773535
H -1.354718 -1.597486 -0.998800
H -6.409885 -1.142162 -1.023299
H -6.425351 -1.236394 0.740451
H -7.468624 1.164107 -0.907934
H -7.484332 1.068056 0.855113
H -8.953513 -1.000100 0.732346
H -8.933352 -0.909142 -1.032391
H -10.009531 1.389145 -0.930525
H -9.991223 1.323215 0.833308
H -11.431286 -0.844928 -0.849901
H -13.369667 -0.235597 0.594229
H -12.413396 1.068558 1.382457


%chk=000293427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293427

0 1
O 0.141175 1.147213 -1.159308
N 6.626381 0.396839 0.310572
N 1.105079 -0.846668 -0.376514
C 5.251601 0.111056 0.162128
C 7.523352 -0.587616 0.937296
C 7.103623 1.788256 0.242395
C 4.749112 -1.206483 0.420866
C 4.335943 1.124701 -0.271971
C 7.146852 -2.020277 0.516131
C 6.337630 2.578281 -0.834855
C 5.683374 -2.307518 0.911496
C 4.826981 2.545882 -0.526505
C 3.382306 -1.477824 0.225655
C 2.972236 0.824081 -0.457608
C 2.476858 -0.479290 -0.210979
C -3.849741 -0.636376 -0.621820
C -2.475224 0.025974 -0.385283
C -5.026944 0.223748 -0.108835
C -1.299061 -0.825754 -0.917139
C -6.407071 -0.439002 -0.319487
C 0.038407 -0.075672 -0.828419
C -7.584119 0.433664 0.171596
C -8.962025 -0.239159 -0.018488
C -10.139795 0.649824 0.464602
C -11.492158 0.010802 0.229603
C -12.414911 -0.258943 1.187591
H 7.496515 -0.511191 2.050668
H 8.558897 -0.356570 0.621245
H 8.185040 1.766796 0.006199
H 6.992998 2.302858 1.226572
H 7.270740 -2.118283 -0.578654
H 7.830908 -2.740553 1.002018
H 6.707826 3.619898 -0.862369
H 6.533905 2.121859 -1.823280
H 5.359963 -3.285471 0.507811
H 5.619637 -2.389902 2.016904
H 4.626985 3.173782 0.366918
H 4.251309 2.996885 -1.355377
H 3.018243 -2.497628 0.418641
H 2.279970 1.598543 -0.796498
H 0.884801 -1.816015 -0.136905
H -3.983224 -0.827427 -1.707636
H -3.878126 -1.629373 -0.125056
H -4.883163 0.435019 0.971453
H -5.009332 1.207536 -0.622072
H -2.434024 1.012991 -0.882673
H -2.333303 0.214373 0.698025
H -1.255737 -1.797438 -0.384464
H -1.483189 -1.054794 -1.987103
H -6.544577 -0.665506 -1.397656
H -6.429049 -1.415426 0.208331
H -7.571889 1.403477 -0.368750
H -7.438857 0.674944 1.245394
H -8.986824 -1.202087 0.529771
H -9.106583 -0.485748 -1.091052
H -10.090167 1.617745 -0.079113
H -10.015281 0.882022 1.540418
H -11.717569 -0.255539 -0.816248
H -13.375228 -0.729532 0.947399
H -12.234074 -0.014879 2.242217


