%chk=000298710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298710

0 1
O -1.588721 0.997620 0.776045
N 4.639326 -0.308422 -0.066166
C -7.476701 -0.673664 -0.269508
C -6.364328 0.220108 0.295053
C -8.866738 -0.126313 0.081966
C -4.974335 -0.327555 -0.056343
C -9.979709 -1.019532 -0.481946
C -3.868199 0.569006 0.509387
C -11.370925 -0.473528 -0.130602
C -2.487567 0.020108 0.158146
C -12.482742 -1.358569 -0.689634
C -0.237631 0.808132 0.652814
C 0.517265 1.818440 1.291844
C 0.378328 -0.253965 -0.022184
C 2.546379 0.687900 0.570156
C 1.901158 1.747903 1.243935
C 1.773990 -0.303049 -0.056523
C 4.021386 0.652198 0.544051
C 6.067042 -0.380505 -0.115262
C 8.840101 -0.731672 -0.344495
C 6.762831 -1.122284 0.856874
C 6.758054 0.184471 -1.202776
C 8.141355 -1.294152 0.735992
C 8.136617 0.004775 -1.311342
C 10.315681 -0.930972 -0.474256
H -7.372973 -0.756742 -1.368691
H -7.368835 -1.703621 0.122170
H -6.474059 1.250190 -0.096537
H -6.470114 0.303609 1.394274
H -8.976216 0.903420 -0.309825
H -8.971959 -0.043020 1.180973
H -4.871574 -0.409642 -1.156239
H -4.867400 -1.357385 0.337462
H -9.872351 -2.049721 -0.091421
H -9.877112 -1.103373 -1.580937
H -3.965320 1.604500 0.123471
H -3.961760 0.661606 1.610882
H -11.476370 -0.391315 0.968927
H -11.481011 0.556577 -0.522538
H -2.294215 0.003801 -0.927242
H -2.290741 -0.968260 0.605496
H -12.431221 -1.430166 -1.782000
H -12.425853 -2.378171 -0.291863
H -13.471377 -0.961519 -0.433462
H 0.000146 2.625683 1.804997
H -0.198470 -1.029876 -0.512924
H 2.494416 2.521706 1.733385
H 2.274896 -1.125045 -0.578970
H 4.512172 1.488426 1.072809
H 6.223568 -1.568469 1.690130
H 6.215117 0.747134 -1.959630
H 8.677202 -1.872135 1.487051
H 8.668743 0.439183 -2.155982
H 10.534071 -1.842661 -1.050167
H 10.805141 -0.095358 -0.991360
H 10.809041 -1.036934 0.500734


%chk=000298710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298710

0 1
O -1.571111 1.335941 0.685818
N 4.681826 -0.455499 0.049594
C -7.528599 -0.691672 -0.166582
C -6.438796 0.339239 0.203121
C -8.964846 -0.138758 -0.024834
C -5.002613 -0.209227 0.045042
C -10.056834 -1.173965 -0.376836
C -3.923096 0.823151 0.443836
C -11.493179 -0.618687 -0.240386
C -2.507218 0.276798 0.253332
C -12.578132 -1.660131 -0.590154
C -0.198762 1.082378 0.599899
C 0.644321 2.139398 1.030829
C 0.368057 -0.131485 0.120761
C 2.625808 0.775550 0.502569
C 2.038111 1.982476 0.981030
C 1.766185 -0.273574 0.075455
C 4.086928 0.641194 0.458664
C 6.095299 -0.533913 -0.062122
C 8.936961 -0.863512 -0.307230
C 6.704983 -1.799505 0.162315
C 6.925879 0.559876 -0.441640
C 8.099701 -1.953288 0.056858
C 8.320964 0.388592 -0.561141
C 10.437172 -1.049744 -0.453908
H -7.370385 -1.035759 -1.210290
H -7.416995 -1.589566 0.476806
H -6.557277 1.242328 -0.431056
H -6.590193 0.672824 1.250860
H -9.080691 0.751895 -0.677487
H -9.119706 0.216774 1.015567
H -4.847855 -0.524905 -1.008105
H -4.891282 -1.123145 0.665363
H -9.945379 -2.062851 0.279055
H -9.901835 -1.533751 -1.415797
H -4.036580 1.742840 -0.161474
H -4.053825 1.116845 1.502992
H -11.646312 -0.257018 0.797082
H -11.604228 0.268020 -0.897622
H -2.316368 0.027155 -0.811178
H -2.344165 -0.633046 0.867870
H -12.465723 -2.014478 -1.632375
H -12.507612 -2.543449 0.072517
H -13.594858 -1.238811 -0.484487
H 0.182584 3.061594 1.395852
H -0.268409 -0.955695 -0.213722
H 2.686425 2.801995 1.315882
H 2.226037 -1.197396 -0.290435
H 4.660088 1.523694 0.818148
H 6.059446 -2.642632 0.429226
H 6.475169 1.531344 -0.677448
H 8.549797 -2.935140 0.249990
H 8.943106 1.239179 -0.866361
H 10.682368 -1.646020 -1.354309
H 10.958539 -0.081136 -0.545572
H 10.864610 -1.584419 0.414415


