%chk=000236963.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236963

0 1
O 4.580638 1.365851 -1.288883
O -2.758489 -1.494156 1.788468
O 3.596021 -0.697750 -1.104530
N -5.676713 0.046791 0.603610
N -2.977542 -0.396644 -0.230633
N 2.371828 1.318779 -0.963997
C -4.989463 -1.238802 0.934317
C -1.603071 0.014194 -0.373715
C -7.065429 -0.195945 0.087608
C -5.679563 0.957640 1.800307
C 7.871556 -0.090735 -0.090056
C -1.301860 1.394562 -0.465865
C -0.572052 -0.951909 -0.457151
C 6.398383 0.327343 -0.037029
C -3.468392 -1.038126 0.907853
C 8.376639 -0.523494 1.293852
C 1.039768 0.836117 -0.760902
C 0.018965 1.802560 -0.670895
C 0.749432 -0.528209 -0.652888
C 5.898128 0.739688 -1.416653
C -7.009338 -0.763367 -1.330817
C -5.981298 2.391786 1.366426
C -2.380858 2.423305 -0.358192
C -0.862294 -2.407292 -0.331298
C 9.844983 -0.939492 1.252265
C 3.503584 0.508935 -1.110049
H -5.265128 -1.661057 1.927056
H -5.255034 -2.019132 0.184514
H -7.598777 0.782107 0.068225
H -7.658007 -0.866200 0.747063
H -4.668084 0.921024 2.267470
H -6.397287 0.634368 2.584971
H 8.492207 0.743859 -0.469719
H 8.003857 -0.921804 -0.810671
H 6.255520 1.161350 0.678562
H 5.773746 -0.506756 0.349225
H -3.645229 0.088265 -0.839842
H 8.241497 0.301895 2.020153
H 7.760509 -1.363036 1.673134
H 0.247817 2.861314 -0.750997
H 1.551375 -1.271911 -0.717526
H 5.822819 -0.109978 -2.117580
H 6.472170 1.571566 -1.863933
H -6.396693 -0.130433 -1.986210
H -6.574507 -1.769419 -1.357439
H -8.012088 -0.823583 -1.767913
H -5.350985 2.691907 0.518882
H -7.023293 2.516315 1.049489
H -5.797121 3.093982 2.187178
H -2.997453 2.451237 -1.268149
H -3.054437 2.218039 0.489595
H -1.982888 3.435547 -0.208072
H -1.187742 -2.636629 0.704918
H -1.678280 -2.722283 -0.995418
H 0.007243 -3.040018 -0.546937
H 2.508582 2.333694 -1.002528
H 10.007168 -1.783140 0.571510
H 10.489677 -0.118999 0.917665
H 10.195988 -1.248221 2.243674


%chk=000236963-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236963

0 1
O 4.549742 1.417069 -1.140398
O -2.884103 -1.690941 2.099157
O 3.523469 -0.708788 -1.052515
N -5.750447 -0.011693 0.487318
N -3.057077 -0.163833 0.300704
N 2.340355 1.319193 -0.699202
C -5.099279 -1.159974 1.174205
C -1.683454 0.164889 0.056276
C -6.919038 -0.412796 -0.351646
C -6.062936 1.079448 1.461939
C 7.957202 -0.203736 -0.278827
C -1.309546 1.542061 0.045492
C -0.717819 -0.848686 -0.214997
C 6.558242 0.415381 -0.049145
C -3.560086 -1.027513 1.257825
C 8.684890 -0.535848 1.044136
C 1.006947 0.885838 -0.458223
C 0.031420 1.885871 -0.215485
C 0.624737 -0.475889 -0.460578
C 5.863749 0.757296 -1.373739
C -6.505596 -1.141105 -1.643609
C -6.335555 2.443538 0.803081
C -2.335003 2.627600 0.318042
C -1.099537 -2.312630 -0.277400
C 10.081123 -1.155973 0.821999
C 3.455062 0.542938 -0.963174
H -5.471938 -1.315827 2.209132
H -5.306972 -2.092489 0.617811
H -7.465247 0.506194 -0.627124
H -7.631160 -1.045143 0.232448
H -5.184967 1.174616 2.128535
H -6.925826 0.793836 2.112317
H 8.583772 0.494418 -0.872957
H 7.859789 -1.129824 -0.882435
H 6.651534 1.334750 0.561363
H 5.925751 -0.295185 0.516117
H -3.822510 0.339799 -0.185530
H 8.780492 0.389140 1.648583
H 8.058540 -1.232038 1.637564
H 0.321599 2.944646 -0.217590
H 1.373923 -1.243256 -0.666487
H 5.701169 -0.151935 -1.980723
H 6.433706 1.502958 -1.953373
H -5.848658 -0.498171 -2.255346
H -5.964710 -2.082696 -1.438723
H -7.400655 -1.396468 -2.240124
H -5.489914 2.738499 0.157277
H -7.253015 2.441425 0.188460
H -6.463337 3.217118 1.582196
H -3.075965 2.709603 -0.502099
H -2.899898 2.420863 1.245864
H -1.851325 3.613324 0.422287
H -1.299317 -2.703724 0.736806
H -2.028056 -2.458407 -0.861285
H -0.297067 -2.908918 -0.742211
H 2.517811 2.325668 -0.676237
H 10.009801 -2.099952 0.249568
H 10.735602 -0.468041 0.253883
H 10.580288 -1.381002 1.782299


