%chk=000217800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217800

0 1
O 1.688731 -2.605918 -1.077156
O -1.487306 1.613678 -0.804468
N 1.591561 -0.589902 0.052999
N -3.110039 0.043608 -0.534528
C 3.039376 -0.257076 0.027808
C -0.793661 -0.376413 0.365885
C 0.563445 0.360977 0.551197
C 3.311593 0.964284 -0.875357
C 3.559111 -0.012146 1.460020
C -0.477225 -1.639787 -0.456183
C 4.813864 1.272692 -0.902132
C 5.061921 0.295620 1.424598
C 5.365977 1.493293 0.513373
C 1.041664 -1.714020 -0.565297
C -1.806434 0.528194 -0.339223
C -4.125495 0.994868 -1.078779
C -3.710120 -1.042383 0.284334
C -4.993366 1.591900 0.040574
C -4.557252 -0.473769 1.436984
C -5.624456 0.493179 0.905676
H 3.562888 -1.157655 -0.405029
H -1.192621 -0.659082 1.368126
H 0.588263 1.314295 -0.030728
H 0.748152 0.607615 1.614787
H 2.751232 1.847520 -0.516140
H 2.942567 0.766480 -1.899658
H 3.364476 -0.900676 2.089128
H 3.015602 0.826593 1.932436
H -0.913895 -1.605685 -1.474901
H -0.868329 -2.560206 0.011431
H 4.999358 2.168778 -1.523805
H 5.359125 0.443298 -1.393620
H 5.619827 -0.594475 1.073492
H 5.425998 0.498287 2.449106
H 6.457485 1.665184 0.469100
H 4.927879 2.413177 0.945877
H -3.600955 1.805751 -1.639124
H -4.750154 0.438705 -1.810695
H -4.349640 -1.655843 -0.393048
H -2.927624 -1.723983 0.674390
H -5.780127 2.231429 -0.401493
H -4.376463 2.263019 0.670858
H -3.906814 0.049272 2.164033
H -5.034926 -1.302065 1.992773
H -6.174817 0.948331 1.750817
H -6.377778 -0.064343 0.315961


%chk=000217800-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217800

0 1
O 1.750326 -2.669306 -0.945742
O -1.690008 1.717598 -1.296954
N 1.601293 -0.440209 -0.167791
N -3.212850 0.262298 -0.310782
C 3.048244 -0.229009 0.037535
C -0.756027 -0.156959 -0.025444
C 0.585734 0.627528 -0.032407
C 3.632242 0.791907 -0.973938
C 3.375148 0.182313 1.495583
C -0.429553 -1.434384 -0.856837
C 5.158289 0.952308 -0.772806
C 4.902259 0.343399 1.693089
C 5.496870 1.353919 0.682961
C 1.085445 -1.628446 -0.668626
C -1.916318 0.680917 -0.589107
C -4.361348 1.046742 -0.827987
C -3.600495 -0.948682 0.445757
C -5.310792 1.449152 0.323559
C -4.531639 -0.590160 1.628120
C -5.759720 0.209589 1.133813
H 3.507152 -1.218942 -0.161063
H -0.970780 -0.460698 1.015890
H 0.602930 1.334837 -0.882527
H 0.732264 1.201453 0.899289
H 3.139589 1.776304 -0.835205
H 3.409678 0.455572 -2.004205
H 2.970214 -0.576899 2.191489
H 2.879757 1.146698 1.732643
H -0.632771 -1.280409 -1.933943
H -0.974721 -2.337877 -0.538895
H 5.553873 1.704752 -1.481866
H 5.660082 -0.007829 -1.011893
H 5.394648 -0.641391 1.557368
H 5.114214 0.666294 2.730696
H 6.593900 1.423549 0.814512
H 5.083351 2.363081 0.888987
H -3.949029 1.925554 -1.348711
H -4.911203 0.428135 -1.568765
H -4.137093 -1.637696 -0.241811
H -2.706766 -1.480174 0.803891
H -6.188009 1.975331 -0.098531
H -4.786398 2.162866 0.988233
H -3.965160 0.012502 2.365200
H -4.850385 -1.521398 2.134424
H -6.391764 0.513294 1.989039
H -6.384075 -0.442823 0.488154


