%chk=000298425.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298425

0 1
O 0.844219 -0.665471 0.301687
O -0.264867 -0.812764 -1.667541
O -1.168372 -0.491450 1.754653
N 3.164180 1.699423 -0.808053
C 4.010344 -1.607391 1.087189
C 2.361855 -2.545826 -0.174406
C 3.187736 -0.364305 0.611449
C 2.869083 -2.648119 1.292275
C 2.131303 -1.016896 -0.325668
C 4.775660 -2.225044 -0.117800
C 3.652368 -2.868856 -0.976526
C 4.029518 0.727980 -0.059480
C -0.268092 -0.575630 -0.486051
C 2.224162 2.422568 0.098094
C 4.023534 2.675827 -1.544787
C -1.433456 -0.072337 0.409273
C -2.762822 -0.704423 0.037047
C -1.502811 1.447724 0.336933
C -3.160556 -0.788705 -1.304547
C -1.843910 2.163120 1.492966
C -3.608267 -1.177608 1.050534
C -1.259823 2.129912 -0.862585
C -4.401849 -1.343015 -1.627152
C -1.927220 3.557075 1.452151
C -4.847952 -1.731803 0.720967
C -1.344708 3.524590 -0.898199
C -5.247123 -1.813221 -0.616801
C -1.676160 4.239498 0.257263
H 4.640780 -1.407156 1.959391
H 1.490533 -3.158270 -0.430474
H 2.659616 0.073854 1.492622
H 3.226083 -3.647257 1.566356
H 2.117113 -2.350832 2.033942
H 2.124794 -0.643255 -1.366164
H 5.337221 -1.464576 -0.683242
H 5.504358 -2.975317 0.221958
H 3.790287 -3.955937 -1.076005
H 3.621968 -2.459658 -1.997130
H 4.673766 1.211724 0.705756
H 4.717574 0.261655 -0.805221
H 1.505754 1.695378 0.517402
H 2.699596 2.965169 0.926264
H 1.629634 3.139803 -0.491202
H 3.375283 3.340146 -2.139271
H 4.666547 3.301553 -0.909573
H 4.660677 2.130194 -2.258573
H -0.237049 -0.269688 2.011499
H -2.496599 -0.438556 -2.099168
H -2.049625 1.621475 2.418909
H -3.288633 -1.116819 2.093586
H -1.003988 1.580510 -1.771941
H -4.708383 -1.409900 -2.669617
H -2.193505 4.110884 2.350840
H -5.502251 -2.100505 1.508649
H -1.155859 4.053112 -1.831458
H -6.213633 -2.243708 -0.871868
H -1.743728 5.325524 0.225552


%chk=000298425-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298425

0 1
O 0.835769 -0.619867 0.463784
O -0.327592 -0.847092 -1.545196
O -1.252543 -0.190730 1.920452
N 3.195950 1.784816 -0.514331
C 4.107281 -1.736891 1.022668
C 2.318311 -2.568314 -0.130796
C 3.295297 -0.451728 0.636736
C 2.943939 -2.741004 1.284396
C 2.121833 -1.033664 -0.205329
C 4.768192 -2.371577 -0.238480
C 3.531610 -2.899302 -1.057227
C 4.072265 0.672338 -0.076576
C -0.302431 -0.543095 -0.335208
C 2.611410 2.561146 0.599440
C 3.859926 2.661177 -1.500883
C -1.485895 0.045766 0.490805
C -2.801312 -0.668096 0.118290
C -1.566871 1.574387 0.220162
C -3.410103 -0.444772 -1.140931
C -2.158378 2.386104 1.221057
C -3.399888 -1.569019 1.030861
C -1.107839 2.176194 -0.976920
C -4.601862 -1.119020 -1.483627
C -2.290571 3.777325 1.026911
C -4.597076 -2.237671 0.687777
C -1.237800 3.571593 -1.167110
C -5.201351 -2.017690 -0.570509
C -1.830399 4.377228 -0.169479
H 4.805823 -1.573418 1.859903
H 1.406779 -3.140228 -0.360898
H 2.863068 -0.050918 1.574260
H 3.294202 -3.769759 1.480573
H 2.266255 -2.427110 2.098102
H 2.077682 -0.642350 -1.235080
H 5.389234 -1.660548 -0.810011
H 5.428092 -3.204679 0.064515
H 3.596931 -3.988327 -1.227812
H 3.435683 -2.416787 -2.047040
H 4.898336 1.027418 0.595103
H 4.554529 0.267062 -0.986303
H 2.014987 1.905008 1.254252
H 3.383614 3.077804 1.225007
H 1.925909 3.325337 0.192849
H 3.141030 3.415982 -1.866842
H 4.747986 3.204978 -1.088319
H 4.197875 2.062955 -2.366251
H -0.274082 -0.108903 2.070981
H -2.956347 0.250878 -1.853113
H -2.501529 1.913069 2.146287
H -2.924287 -1.727220 2.001818
H -0.645403 1.567439 -1.761350
H -5.063077 -0.941258 -2.461665
H -2.753425 4.393239 1.806468
H -5.055728 -2.929775 1.403412
H -0.877487 4.025666 -2.097354
H -6.128847 -2.537498 -0.836875
H -1.933369 5.457800 -0.320649


