%chk=000216247.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216247

0 1
O -7.050809 -0.320966 -1.731457
N 1.686022 0.039525 0.425813
N -1.785776 -1.313455 -0.295730
N -4.776037 -0.630427 0.151486
C 0.766945 -0.573754 1.432713
C 0.315599 -1.962660 0.951375
C -0.428450 -1.920046 -0.395124
C 1.731427 1.485747 0.394985
C 2.977274 -0.587231 0.247522
C 2.003149 2.117034 -0.844463
C 3.589820 -0.502283 -1.028157
C -4.040602 0.529838 0.772900
C -2.817697 -2.160928 0.156883
C -1.858608 0.082259 -0.434814
C 1.464644 2.262214 1.536889
C 3.601143 -1.311220 1.279549
C 2.281583 1.360924 -2.071010
C 2.977121 0.216875 -2.151178
C -4.130829 -1.887154 0.355036
C -2.849832 0.904981 -0.037588
C -6.223109 -0.654436 0.545111
C 1.986526 3.520291 -0.905024
C 4.818505 -1.151864 -1.231277
C 1.449118 3.654983 1.448144
C 4.819363 -1.951448 1.050190
C 1.711710 4.286253 0.229173
C 5.431836 -1.870549 -0.203572
C -7.032027 -1.235011 -0.629609
H 1.227452 -0.656489 2.441435
H -0.126503 0.087527 1.535062
H -0.328846 -2.415991 1.729912
H 1.193627 -2.632584 0.848280
H -0.519578 -2.949364 -0.806771
H 0.175004 -1.340914 -1.136569
H -3.725913 0.293199 1.815363
H -4.737601 1.396087 0.835878
H -2.494357 -3.203210 0.292602
H -0.981842 0.507729 -0.954970
H 1.276146 1.788236 2.497294
H 3.141258 -1.368956 2.264334
H 1.878968 1.816606 -2.981876
H 3.138437 -0.252511 -3.127319
H -4.786580 -2.726122 0.614482
H -2.808589 1.953936 -0.324945
H -6.571360 0.387139 0.728992
H -6.424817 -1.225240 1.473943
H 2.193740 4.018224 -1.852589
H 5.301607 -1.091038 -2.206801
H 1.235419 4.250191 2.335083
H 5.295432 -2.511405 1.854030
H 1.702590 5.372251 0.163139
H 6.384548 -2.365478 -0.379281
H -8.101263 -1.346103 -0.373530
H -6.624196 -2.200726 -0.979601
H -6.121995 -0.075387 -1.964546


%chk=000216247-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216247

0 1
O -6.779211 -0.862977 -1.821027
N 1.782804 0.027936 0.659217
N -1.589689 -1.286737 -0.201415
N -4.697657 -0.467528 0.099864
C 0.887396 -0.679894 1.610091
C 0.454230 -2.069140 1.088393
C -0.296155 -2.009337 -0.264486
C 1.685474 1.463508 0.596183
C 3.010227 -0.616317 0.268155
C 1.805227 2.153073 -0.654333
C 3.498193 -0.509981 -1.075482
C -4.021067 0.857935 0.077068
C -2.683502 -1.997207 0.335540
C -1.623916 0.050600 -0.608120
C 1.369392 2.200827 1.765981
C 3.705101 -1.440467 1.190452
C 2.138893 1.481510 -1.918511
C 2.866170 0.333483 -2.100761
C -4.004724 -1.644595 0.458776
C -2.645564 0.960439 -0.533502
C -6.124829 -0.422894 0.515504
C 1.565684 3.555277 -0.681078
C 4.647463 -1.264583 -1.443000
C 1.141051 3.593429 1.715129
C 4.848384 -2.174056 0.805055
C 1.237134 4.278417 0.483329
C 5.324158 -2.090237 -0.522771
C -6.983459 -1.284469 -0.435807
H 1.332374 -0.790925 2.624485
H -0.013740 -0.051669 1.723533
H -0.196103 -2.531465 1.856921
H 1.334150 -2.729767 0.970782
H -0.480726 -3.040328 -0.622684
H 0.345872 -1.508713 -1.009712
H -3.974703 1.246381 1.122529
H -4.689133 1.545951 -0.476429
H -2.424246 -3.004061 0.675062
H -0.678790 0.383655 -1.051089
H 1.293106 1.677663 2.724542
H 3.343061 -1.516048 2.220940
H 1.840655 2.027676 -2.824578
H 3.093716 0.050112 -3.138006
H -4.648104 -2.416323 0.897523
H -2.412914 1.951577 -0.938862
H -6.465278 0.624625 0.439107
H -6.268654 -0.753461 1.569152
H 1.638225 4.077406 -1.643087
H 5.007680 -1.193371 -2.476596
H 0.885600 4.135737 2.632304
H 5.357807 -2.810297 1.537383
H 1.054250 5.356692 0.430455
H 6.203769 -2.662035 -0.836203
H -8.056915 -1.143513 -0.221620
H -6.737097 -2.361292 -0.310700
H -5.792274 -0.763122 -1.923798


