%chk=000184354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184354

0 1
O 0.412849 -1.444924 -0.607059
O 1.782794 -1.241012 1.180692
O -4.289777 0.019654 0.074480
N 5.265892 1.457053 0.884622
N 0.347953 -4.476147 -1.942811
C 3.039259 1.185102 -0.422713
C 1.796123 1.823685 0.196235
C 4.114114 0.610442 0.443617
C 1.684274 0.480539 -0.571625
C 5.533581 0.356227 -0.096391
C 1.197138 3.030987 -0.485559
C 1.627564 1.837501 1.692386
C 1.378723 -0.770977 0.143789
C 6.305912 -0.820336 0.451476
C 5.878831 0.695239 -1.527944
C -0.113065 -2.695618 -0.074764
C -1.592977 -2.513183 0.199323
C 0.140805 -3.692986 -1.121607
C -2.197111 -1.268701 -0.000588
C -2.334778 -3.602026 0.677472
C -3.556950 -1.142094 0.301726
C -3.698156 -3.446479 0.957295
C -4.326872 -2.214172 0.779978
C -3.652469 1.262556 0.150971
C -2.706711 1.575903 1.133356
C -4.125289 2.204063 -0.774621
C -2.223662 2.886485 1.183198
C -3.626419 3.505031 -0.699368
C -2.675804 3.846441 0.271539
H 3.430199 1.634424 -1.351681
H 3.734212 -0.066890 1.235810
H 1.215939 0.506477 -1.572515
H 5.282610 2.405156 0.511415
H 1.372381 3.047769 -1.567622
H 0.106991 3.067333 -0.338286
H 1.613491 3.960605 -0.075095
H 0.584601 2.008272 1.983872
H 2.241201 2.627733 2.147685
H 1.945515 0.893665 2.167132
H 6.172221 -0.922664 1.539321
H 7.383225 -0.709468 0.277812
H 5.977106 -1.757600 -0.012789
H 5.264517 1.502855 -1.943210
H 5.742475 -0.179738 -2.178655
H 6.929572 1.003698 -1.614187
H 0.443843 -2.957999 0.872372
H -1.622909 -0.431734 -0.401887
H -1.861547 -4.571087 0.826256
H -4.274298 -4.298146 1.322531
H -5.384209 -2.071626 0.994878
H -2.371222 0.825920 1.846053
H -4.865077 1.913473 -1.517805
H -1.495406 3.162089 1.946308
H -3.979469 4.258976 -1.403379
H -2.296235 4.864753 0.321860


%chk=000184354-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184354

0 1
O 0.783018 -1.782485 -0.896110
O 1.167011 0.006953 0.564875
O -4.097269 0.493549 0.645885
N 5.078288 2.243476 -0.050642
N 0.625989 -4.993600 0.215940
C 3.378668 0.893372 -1.533026
C 2.106384 1.513294 -2.112730
C 3.914223 1.245757 -0.177153
C 2.106311 -0.008757 -1.717150
C 5.270036 0.766982 0.330702
C 2.077008 1.774950 -3.619224
C 1.291934 2.515593 -1.298289
C 1.345283 -0.521496 -0.562434
C 5.422526 0.549605 1.831326
C 6.182252 -0.107195 -0.524854
C -0.051028 -2.417173 0.195500
C -1.530386 -2.160323 -0.058321
C 0.321179 -3.841390 0.196442
C -2.099482 -0.979728 0.478872
C -2.312877 -3.043303 -0.839931
C -3.458511 -0.693119 0.222181
C -3.668555 -2.735195 -1.090961
C -4.248776 -1.563420 -0.563393
C -3.665054 1.193633 1.806403
C -3.341111 0.531631 3.013076
C -3.684734 2.602057 1.725632
C -3.015607 1.304905 4.149521
C -3.362636 3.361758 2.872011
C -3.022578 2.718194 4.085027
H 4.150608 0.655349 -2.277276
H 3.150992 1.405128 0.590044
H 2.137273 -0.714679 -2.551089
H 5.488602 2.419886 -0.992761
H 2.691819 1.045693 -4.178199
H 1.043443 1.718995 -4.008152
H 2.468002 2.786814 -3.837478
H 0.265022 2.588313 -1.702098
H 1.758128 3.515956 -1.366215
H 1.216608 2.242141 -0.234718
H 4.801765 1.269416 2.390635
H 6.473802 0.694391 2.143875
H 5.113587 -0.474545 2.112353
H 6.048132 0.058301 -1.608690
H 5.999715 -1.179067 -0.322019
H 7.241610 0.103273 -0.284369
H 0.260681 -1.947551 1.149547
H -1.483031 -0.291263 1.066324
H -1.869753 -3.959712 -1.243852
H -4.279571 -3.413866 -1.695053
H -5.296745 -1.307676 -0.745161
H -3.354813 -0.561622 3.067004
H -3.952511 3.077193 0.777250
H -2.764646 0.799173 5.088331
H -3.374884 4.455616 2.815133
H -2.769844 3.310319 4.970753


