%chk=000194389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194389

0 1
O 1.663229 -0.538265 -0.226928
O 2.390994 3.094242 -0.347776
O 4.924964 1.802287 0.517144
O 5.210387 -0.746938 -0.913882
O -1.115305 0.924231 -2.013226
O 0.601560 1.355537 2.283754
O 2.539195 -3.353707 -1.191789
O 3.148084 -2.934050 0.928861
N 0.099754 1.098754 -0.033089
N -1.591810 1.188662 1.495113
C 1.430187 0.853364 -0.587861
C 2.533044 1.736992 0.049067
C -2.299737 1.038670 0.192232
C 3.936338 1.229233 -0.347178
C 4.102507 -0.291861 -0.128816
C 2.905750 -1.078497 -0.706205
C -1.097575 0.986206 -0.813690
C -3.160634 2.283642 -0.115741
C -0.194602 1.217133 1.389225
C -3.097178 -0.250847 0.087650
C 2.888768 -2.512137 -0.167067
C -4.371785 2.405455 0.799226
C -3.377565 -1.044856 1.206305
C -3.579397 -0.636961 -1.174870
C -4.139991 -2.209897 1.064520
C -4.338998 -1.799697 -1.310647
C -4.623761 -2.588134 -0.190032
H 1.393142 0.938441 -1.704656
H 2.426235 1.791400 1.170957
H 4.198650 1.510482 -1.393418
H 4.279023 -0.517090 0.951543
H 2.918927 -1.080396 -1.824504
H -2.091380 1.351338 2.358231
H -3.493401 2.232481 -1.175422
H -2.536789 3.198596 -0.038887
H 2.384931 3.191863 -1.324854
H -4.992099 1.498577 0.777185
H -4.088910 2.588320 1.841650
H -5.012229 3.241593 0.488787
H 4.739057 2.762026 0.657696
H 6.050715 -0.390760 -0.534713
H -3.001893 -0.778894 2.193170
H -3.345907 -0.037071 -2.058302
H -4.351414 -2.825029 1.938591
H -4.706445 -2.095182 -2.292892
H -5.215893 -3.495742 -0.297440
H 2.507558 -4.310115 -0.911822


%chk=000194389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194389

0 1
O 1.783780 -0.785437 -0.006541
O 2.090130 2.986213 -0.332224
O 4.868646 2.088755 0.090197
O 5.430097 -0.623003 -0.747076
O -1.082498 0.818665 -1.980212
O 0.528992 1.055479 2.446149
O 3.161660 -3.520377 -1.091114
O 3.672014 -2.909136 1.094386
N 0.059777 0.810490 0.095427
N -1.657957 1.081669 1.522440
C 1.390742 0.581756 -0.417793
C 2.433864 1.613194 0.081947
C -2.315447 1.014148 0.204399
C 3.820873 1.228446 -0.459811
C 4.195580 -0.211269 -0.081157
C 3.097472 -1.173756 -0.571094
C -1.077839 0.858763 -0.728004
C -3.040904 2.355775 -0.137725
C -0.276531 0.986544 1.491798
C -3.231603 -0.218973 0.046061
C 3.349352 -2.593835 -0.066199
C -4.246149 2.654603 0.776418
C -3.323950 -1.200644 1.062056
C -3.970521 -0.396288 -1.152392
C -4.161268 -2.327504 0.896577
C -4.802436 -1.523792 -1.318201
C -4.907169 -2.491414 -0.291664
H 1.308899 0.625581 -1.529254
H 2.434070 1.644796 1.182129
H 3.810385 1.309997 -1.573960
H 4.286258 -0.284672 1.021439
H 3.061400 -1.177234 -1.678810
H -2.147837 1.281694 2.392060
H -3.362059 2.310002 -1.193581
H -2.297601 3.172883 -0.066187
H 1.963872 3.009257 -1.317972
H -4.998995 1.848522 0.727439
H -3.941898 2.780801 1.832756
H -4.733737 3.595617 0.466262
H 4.547491 3.027049 0.056038
H 6.146395 0.000803 -0.463657
H -2.729567 -1.095789 1.975410
H -3.876454 0.328951 -1.967095
H -4.222726 -3.078140 1.692254
H -5.363205 -1.650628 -2.250793
H -5.554115 -3.365965 -0.421341
H 3.329019 -4.439197 -0.744587


