%chk=000181786.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181786

0 1
O -1.396302 -0.366023 1.191545
O -5.014101 1.853220 -0.055668
O 0.106898 -0.211435 2.834828
O 3.340913 -2.062685 0.316184
N -3.399515 0.503663 -1.082081
N -1.426599 1.803737 -0.530838
N 1.943233 -0.252530 0.316991
N 2.736564 1.966966 -0.147339
C -1.482007 -0.760677 -0.216675
C -1.881414 0.500192 -1.083606
C -0.126308 -1.373679 -0.585800
C -2.717278 -1.624417 -0.315416
C 0.797870 -1.136032 0.622706
C -3.821748 -0.840251 -0.757581
C -2.608363 2.431577 0.153203
C -3.858525 1.625693 -0.280674
C -0.116415 -0.520775 1.701834
C -2.907115 -2.956865 0.010493
C -5.100850 -1.365589 -0.872595
C -2.764246 3.910032 -0.150023
C -4.196540 -3.505013 -0.119374
C -5.270591 -2.722583 -0.547606
C 3.250261 -0.859485 0.173214
C 1.762694 1.146854 0.158294
C 4.324512 0.084865 -0.153028
C 4.046984 1.464497 -0.309369
C 5.647626 -0.383775 -0.311352
C 5.091298 2.364485 -0.628744
C 6.662734 0.506380 -0.622794
C 6.380722 1.880798 -0.780898
H -1.528706 0.346766 -2.135325
H 0.290831 -0.941293 -1.514987
H -0.219273 -2.456794 -0.800614
H 1.208815 -2.118314 1.009309
H -1.086007 2.412615 -1.288799
H -2.467695 2.259725 1.259647
H -2.083329 -3.571592 0.369732
H -5.938429 -0.745939 -1.192340
H -1.899263 4.487330 0.205652
H -2.888971 4.117535 -1.220123
H -3.654290 4.317974 0.356116
H -4.356614 -4.553661 0.128621
H -6.264521 -3.165770 -0.630360
H 0.736449 1.544126 0.309216
H 5.847972 -1.451588 -0.183081
H 4.860085 3.424573 -0.744130
H 7.685553 0.152681 -0.745701
H 7.194800 2.566083 -1.024865


%chk=000181786-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181786

0 1
O -1.451776 -0.437571 1.241871
O -5.042839 1.858743 0.221453
O 0.198609 0.120268 2.775133
O 3.344382 -2.053260 0.435220
N -3.434706 0.479898 -0.854124
N -1.483941 1.782399 -0.567637
N 1.962044 -0.160185 0.289942
N 2.785318 2.034057 -0.281231
C -1.520807 -0.820752 -0.222009
C -1.948826 0.468820 -1.018842
C -0.122027 -1.387431 -0.566166
C -2.753587 -1.694586 -0.401992
C 0.802058 -1.012993 0.624692
C -3.876171 -0.869534 -0.702192
C -2.597494 2.452356 0.182540
C -3.867162 1.615353 -0.140397
C -0.118564 -0.361356 1.679593
C -2.928749 -3.072886 -0.204920
C -5.179072 -1.382337 -0.786512
C -2.743664 3.944442 -0.147112
C -4.235588 -3.614521 -0.306946
C -5.342908 -2.775423 -0.581897
C 3.242253 -0.807236 0.221214
C 1.807155 1.210914 0.043447
C 4.349359 0.101107 -0.119639
C 4.085252 1.489899 -0.366126
C 5.674883 -0.400235 -0.207328
C 5.164762 2.351957 -0.702012
C 6.730258 0.464982 -0.537761
C 6.471331 1.843353 -0.785918
H -1.686319 0.292895 -2.081342
H 0.258407 -0.969503 -1.513214
H -0.162278 -2.482105 -0.684774
H 1.249806 -1.921448 1.070323
H -1.150469 2.363595 -1.346508
H -2.434226 2.330343 1.271108
H -2.081410 -3.723032 0.041374
H -6.029029 -0.727440 -0.992987
H -1.854967 4.510228 0.183135
H -2.889803 4.105108 -1.231674
H -3.627573 4.345320 0.376946
H -4.392303 -4.688323 -0.161982
H -6.346645 -3.210073 -0.641363
H 0.780950 1.593447 0.123236
H 5.842086 -1.464148 -0.010621
H 4.942239 3.407492 -0.883942
H 7.753918 0.082123 -0.603972
H 7.299629 2.512879 -1.042288


