%chk=000198700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198700

0 1
O -2.016181 0.328062 -1.502592
O -1.432983 -0.062882 2.068161
O -3.564056 -1.974170 1.489226
O -3.078527 -3.189244 -1.198502
O -2.364860 3.880451 0.260906
N -1.313212 2.005360 -0.109597
N -2.421064 2.683787 0.223530
N 3.716740 0.280915 -1.176837
C -2.255805 -0.123269 0.894847
C -1.385266 0.535161 -0.208353
C -2.528715 -1.608978 0.565088
C -3.023493 -1.798667 -0.886050
C -2.121665 -1.050340 -1.882713
C -0.002699 2.638480 -0.460625
C 1.093451 2.277701 0.558889
C 2.046969 1.267426 0.033471
C 2.156233 -0.110136 0.456470
C 3.211081 -0.704533 -0.316767
C 3.004085 1.477669 -0.950213
C 1.482693 -0.899015 1.409081
C 3.586971 -2.055491 -0.157378
C 1.853838 -2.222638 1.562220
C 2.897719 -2.794414 0.785910
H -3.214607 0.416081 1.078351
H -0.355499 0.092151 -0.225586
H -1.635487 -2.236769 0.785662
H -4.092579 -1.484918 -0.982520
H -1.118667 -1.502212 -1.969219
H -2.582769 -0.982866 -2.888328
H 0.283126 2.329007 -1.490142
H -0.151029 3.744112 -0.489388
H 0.636006 1.919452 1.509969
H 1.643262 3.199853 0.846640
H -1.959467 -0.362084 2.848594
H -3.952504 -2.843413 1.232899
H -2.185051 -3.593077 -1.212437
H 3.228646 2.375909 -1.496927
H 4.470593 0.167797 -1.824373
H 0.678637 -0.461278 2.009094
H 4.387477 -2.485249 -0.749053
H 1.351179 -2.847788 2.297214
H 3.154879 -3.840345 0.950376


%chk=000198700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198700

0 1
O -2.064496 0.395920 -1.510779
O -1.721646 -0.148772 2.180990
O -3.489282 -2.261014 1.410526
O -3.243326 -3.204977 -1.375261
O -2.046214 3.794756 1.003797
N -1.221418 1.893354 0.115006
N -2.238941 2.542886 0.825520
N 3.790346 0.188362 -1.201696
C -2.370270 -0.208164 0.870821
C -1.447371 0.488900 -0.152980
C -2.561390 -1.672663 0.440941
C -3.096162 -1.784359 -0.996839
C -2.173364 -1.003774 -1.955416
C -0.069518 2.617626 -0.461716
C 1.262768 2.484446 0.351502
C 2.169517 1.349663 -0.069687
C 2.224449 -0.010255 0.451893
C 3.249645 -0.713716 -0.278807
C 3.142739 1.425597 -1.069080
C 1.513266 -0.702087 1.471652
C 3.575252 -2.064665 -0.023222
C 1.834650 -2.049389 1.729222
C 2.853461 -2.724654 0.992095
H -3.355124 0.294936 0.892006
H -0.466304 -0.027480 -0.177595
H -1.573903 -2.190525 0.498836
H -4.123389 -1.386933 -1.046897
H -1.164214 -1.477859 -1.992434
H -2.594149 -0.963357 -2.971643
H 0.072238 2.265318 -1.497812
H -0.378355 3.678494 -0.480805
H 1.011238 2.410703 1.425373
H 1.804947 3.440769 0.225779
H -2.297185 -0.650911 2.813690
H -3.778703 -3.142816 1.059461
H -2.340341 -3.607165 -1.472088
H 3.427466 2.275612 -1.687706
H 4.552206 -0.011533 -1.845714
H 0.718421 -0.210490 2.043458
H 4.360860 -2.583335 -0.584527
H 1.296689 -2.589593 2.516311
H 3.082308 -3.771259 1.222824


