%chk=000194688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194688

0 1
O 0.218843 2.236369 0.362834
O -4.552239 -2.019880 -1.231504
O -2.326309 -1.968776 -1.013678
O 3.128414 -1.467689 1.481508
O 4.957327 -0.191904 1.277671
N -1.818067 1.004975 1.959488
N 4.478739 0.053543 -1.567170
C -2.389080 0.919465 -0.564635
C -1.446770 0.518477 0.609682
C -0.030093 1.053594 0.308619
C 0.983056 -0.002074 -0.050990
C -3.662130 0.050498 -0.564939
C 2.264797 0.601323 -0.623741
C -2.757910 2.400587 -0.530303
C 3.418050 -0.420764 -0.653920
C -3.374407 -1.369650 -0.942160
C 3.954032 -0.631024 0.770437
H -1.836084 0.716101 -1.520260
H -1.418022 -0.607593 0.669681
H 1.207188 -0.599496 0.869705
H 0.546190 -0.740515 -0.757732
H -4.166454 0.072738 0.425806
H -4.418328 0.475514 -1.265078
H 2.550698 1.508412 -0.047559
H 2.082870 0.965617 -1.659225
H -3.454255 2.649039 0.276455
H -1.857661 3.023662 -0.384731
H -3.218570 2.725085 -1.470440
H 3.039669 -1.410210 -1.037595
H -1.687637 2.014864 2.028290
H -2.796261 0.813634 2.151990
H 4.851704 0.954688 -1.273783
H 5.256950 -0.599997 -1.605587
H -4.416176 -2.974260 -1.480278
H 3.439325 -1.619154 2.415441


%chk=000194688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194688

0 1
O 0.258375 2.145644 1.215789
O -4.502217 -2.145810 -0.836703
O -2.195217 -2.032480 -1.044833
O 3.273726 -1.894068 1.122591
O 4.961784 -0.298936 1.088655
N -2.222890 1.271521 1.961713
N 4.242987 0.318568 -1.664289
C -2.203967 0.852071 -0.589718
C -1.573731 0.585432 0.850693
C -0.099558 1.012736 0.788750
C 0.883629 0.010127 0.196190
C -3.514621 0.049915 -0.755453
C 2.128986 0.669707 -0.428050
C -2.447207 2.355076 -0.839253
C 3.284264 -0.322795 -0.754043
C -3.289898 -1.445048 -0.888561
C 3.947420 -0.798503 0.554742
H -1.490709 0.469320 -1.346382
H -1.593208 -0.511629 1.007568
H 1.179688 -0.661334 1.030724
H 0.360894 -0.646347 -0.525537
H -4.216666 0.228771 0.082455
H -4.055524 0.380204 -1.665262
H 2.494892 1.473983 0.238120
H 1.865264 1.143030 -1.391379
H -3.237148 2.750039 -0.174115
H -1.532418 2.944573 -0.654030
H -2.762759 2.529752 -1.884369
H 2.854920 -1.209211 -1.255075
H -1.851585 2.207642 2.145855
H -3.234868 1.174753 2.046325
H 4.703695 1.133298 -1.240491
H 4.937116 -0.329015 -2.053992
H -4.325467 -3.119693 -0.949176
H 3.723419 -2.156096 1.972841


