%chk=000209266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209266

0 1
O -3.836597 -2.611550 0.870483
O 2.368648 -0.837620 -0.060938
N -4.372194 0.889868 0.737624
N -4.963590 3.287777 -0.760740
N -2.254711 -0.932108 0.888171
C -5.078484 2.044271 1.385999
C -4.738269 0.816629 -0.715564
C -4.615867 -0.390089 1.469161
C -4.632178 3.350386 0.696248
C -4.288509 2.119761 -1.406875
C -6.012410 -0.994358 1.328946
C -3.562648 -1.438176 1.024337
C -1.087927 -1.678669 0.546403
C 0.106061 -0.953530 0.387860
C -1.103187 -3.078588 0.383934
C 1.276305 -1.663231 0.069481
C 0.079169 -3.743079 0.068706
C 1.287096 -3.055154 -0.093993
C 3.659876 -1.455044 -0.366737
C 4.621889 -0.305654 -0.468381
C 4.207459 0.923303 -1.002892
C 5.948226 -0.468315 -0.045536
C 6.445488 1.816303 -0.703881
C 5.112381 1.978222 -1.117538
C 6.856018 0.585725 -0.167895
C 7.407913 2.951873 -0.832910
H -4.799792 2.077674 2.459873
H -6.185899 1.953734 1.329023
H -5.829480 0.670426 -0.876254
H -4.216008 -0.050042 -1.173561
H -4.416504 -0.192672 2.561165
H -3.550881 3.522216 0.890256
H -5.189504 4.206959 1.133977
H -4.599379 2.096440 -2.474150
H -3.179133 2.190082 -1.385468
H -4.653682 4.153785 -1.216563
H -6.100191 -1.917529 1.921282
H -6.790541 -0.301496 1.663585
H -6.238234 -1.283483 0.294318
H -2.132445 0.089537 0.959796
H 0.156797 0.123987 0.507119
H -2.036393 -3.636225 0.503521
H 0.064480 -4.827602 -0.055132
H 2.189965 -3.598137 -0.338593
H 3.909057 -2.155170 0.450670
H 3.569313 -1.996034 -1.327640
H 3.168747 1.047654 -1.315270
H 6.278176 -1.414602 0.379815
H 4.783456 2.930302 -1.528888
H 7.884869 0.449824 0.158895
H 8.430560 2.678640 -0.542848
H 7.454964 3.322387 -1.866825
H 7.108226 3.798094 -0.197477


%chk=000209266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209266

0 1
O -4.104810 -2.917732 1.042112
O 2.171192 -0.718969 0.030289
N -4.367474 0.743308 0.746147
N -4.285855 3.354662 -0.418425
N -2.537845 -1.160781 0.805668
C -4.858773 1.929290 1.500742
C -4.549074 0.932248 -0.723156
C -4.858631 -0.568263 1.271056
C -4.103232 3.189790 1.038386
C -3.786844 2.190286 -1.178609
C -6.261029 -1.021668 0.804761
C -3.801195 -1.686886 1.008572
C -1.305565 -1.826804 0.593699
C -0.155128 -1.022001 0.407407
C -1.194529 -3.246296 0.564732
C 1.105181 -1.622869 0.195119
C 0.072847 -3.820984 0.351557
C 1.233596 -3.034410 0.165780
C 3.509337 -1.291332 -0.215530
C 4.482924 -0.153595 -0.436301
C 4.131868 0.961520 -1.238335
C 5.781269 -0.206667 0.121336
C 6.374270 1.941316 -0.929772
C 5.063445 1.991908 -1.476346
C 6.716000 0.824591 -0.128032
C 7.368586 3.059694 -1.191859
H -4.679661 1.761758 2.579023
H -5.950600 2.091604 1.343672
H -5.622877 1.053261 -0.989051
H -4.156455 0.042308 -1.248711
H -4.889090 -0.459280 2.375938
H -3.029085 3.076587 1.330588
H -4.512183 4.074977 1.558767
H -3.964261 2.356072 -2.256706
H -2.691483 2.011397 -1.030212
H -3.930716 4.251099 -0.771664
H -6.494650 -1.996441 1.262993
H -7.031605 -0.288681 1.103763
H -6.303624 -1.155574 -0.289595
H -2.574871 -0.121872 0.803535
H -0.216379 0.071660 0.430877
H -2.086877 -3.857616 0.708170
H 0.163543 -4.912915 0.330529
H 2.200614 -3.519400 0.008606
H 3.820206 -1.912439 0.648960
H 3.453084 -1.946197 -1.111960
H 3.120913 1.020414 -1.654918
H 6.068295 -1.054051 0.756619
H 4.773693 2.850076 -2.095894
H 7.718469 0.764020 0.312509
H 8.355912 2.834360 -0.753386
H 7.510242 3.226692 -2.276062
H 7.019417 4.016528 -0.759289


