%chk=000191301.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191301

0 1
O 0.914330 0.991391 0.910283
O -0.755368 -3.528585 0.320658
N 3.014197 -1.427375 -0.537365
N 2.803571 -0.258770 0.279906
N -0.673401 -1.307234 -0.272369
N -4.045271 0.520358 2.070604
C 1.705249 -2.030179 -0.705065
C 0.733773 -1.185801 -0.221797
C 1.375442 0.005294 0.390156
C -3.396991 -1.125262 0.628513
C -2.863173 -2.397520 0.093235
C -3.909920 -0.024229 -0.152755
C 3.793032 0.789948 0.227458
C -4.307282 0.996359 0.775510
C -1.342991 -2.482657 0.092663
C 4.068412 -2.320745 0.029083
C 1.551993 -3.322930 -1.389579
C -3.488014 -0.768064 1.968264
C -4.073666 0.205516 -1.532744
C -4.855786 2.223901 0.347840
C 3.708124 1.800204 1.206006
C 4.824760 0.802368 -0.726742
C -4.611788 1.410232 -1.947668
C -4.998676 2.410082 -1.014375
C 4.674031 2.805575 1.230504
C 5.785390 1.815419 -0.677848
C 5.717725 2.813881 0.297764
H -3.230443 -2.576497 -0.942654
H -3.249657 -3.262982 0.682850
H -1.182480 -0.416182 -0.318763
H 4.992728 -1.742645 0.208512
H 4.295468 -3.101777 -0.715474
H 3.782668 -2.800359 0.979927
H 2.496109 -3.808063 -1.662650
H 0.955667 -3.211566 -2.311333
H 0.973554 -4.027939 -0.745089
H -3.197763 -1.329741 2.840017
H -4.191282 1.025072 2.922745
H -3.778664 -0.557983 -2.248635
H -5.147385 2.984567 1.064126
H 2.883242 1.803224 1.922839
H 4.869153 0.046051 -1.508824
H -4.746775 1.611849 -3.008688
H -5.415553 3.342275 -1.394838
H 4.611902 3.590844 1.983768
H 6.588984 1.827879 -1.413404
H 6.469126 3.599297 0.328526


%chk=000191301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191301

0 1
O 0.839290 0.497064 1.507782
O -1.302804 -3.609127 -0.730495
N 2.899477 -1.435995 -0.661244
N 2.724439 -0.372676 0.284194
N -0.642825 -1.622247 0.334914
N -3.788757 1.020058 1.943753
C 1.665819 -2.147369 -0.735803
C 0.732941 -1.498407 0.065655
C 1.377292 -0.358752 0.734157
C -3.365472 -0.957141 0.874921
C -2.969244 -2.383166 0.595707
C -3.816615 0.016820 -0.107903
C 3.644204 0.718392 0.340569
C -4.073355 1.248199 0.591439
C -1.561639 -2.592623 -0.014321
C 4.173241 -2.189153 -0.537795
C 1.599687 -3.380858 -1.588782
C -3.362205 -0.303522 2.109933
C -4.028472 -0.037303 -1.511116
C -4.530802 2.411088 -0.066826
C 3.729158 1.482274 1.532417
C 4.445829 1.050654 -0.782213
C -4.486059 1.118003 -2.173318
C -4.733932 2.328451 -1.459160
C 4.624414 2.570547 1.593421
C 5.349686 2.130911 -0.697896
C 5.445630 2.895050 0.488061
H -3.671634 -2.865717 -0.106713
H -3.000409 -2.984892 1.525214
H -0.999980 -0.835772 0.901822
H 5.019274 -1.485929 -0.556367
H 4.260738 -2.863946 -1.402495
H 4.213594 -2.779902 0.399000
H 2.240754 -4.190379 -1.188474
H 1.933846 -3.165012 -2.620883
H 0.562403 -3.747976 -1.605233
H -3.090718 -0.686026 3.092705
H -3.842039 1.716520 2.683388
H -3.836258 -0.960088 -2.070138
H -4.720227 3.344158 0.475401
H 3.085360 1.232498 2.378822
H 4.330454 0.489790 -1.715456
H -4.654477 1.093781 -3.255624
H -5.087191 3.210726 -2.004568
H 4.683527 3.163590 2.512617
H 5.966294 2.385312 -1.567135
H 6.144065 3.736593 0.547165


