%chk=000182706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182706

0 1
O 3.367182 1.071074 -0.699465
O 0.277262 2.635194 0.003667
O 0.807014 1.636415 -1.953140
O -3.514852 -1.544990 0.836936
O 2.243095 -3.912794 1.383423
N -1.867674 5.163664 -0.193717
C 3.294488 3.461190 -0.702632
C 2.560221 2.174381 -0.240957
C 3.597655 3.408139 -2.199079
C 4.572012 3.631425 0.121299
C 1.177959 2.078781 -0.898953
C -1.140235 2.650842 -0.355944
C 3.007021 -0.172593 -0.157939
C -1.835074 1.753216 0.645595
C 3.538199 -0.562162 1.083552
C 2.212820 -1.019203 -0.935657
C -2.314307 0.510428 0.207677
C -1.972397 2.142491 1.982127
C -2.925029 -0.323157 1.148568
C 3.256940 -1.835407 1.559005
C 1.929778 -2.303535 -0.463519
C 2.446594 -2.693625 0.779168
C -2.602897 1.289134 2.898991
C -3.083604 0.045734 2.496168
C -1.549461 4.056795 -0.259995
C -3.009121 -2.318037 -0.212573
C -1.646845 -2.420225 -0.508884
C -3.989097 -3.069317 -0.879761
C 1.371899 -4.861829 0.721034
C -1.262853 -3.301766 -1.524207
C -3.573923 -3.947892 -1.880188
C -2.215516 -4.062319 -2.207332
H 2.610001 4.324792 -0.494724
H 2.452858 2.131993 0.868176
H 2.684974 3.330332 -2.802598
H 4.143186 4.297019 -2.531592
H 4.211956 2.528373 -2.444679
H 4.361425 3.765639 1.187125
H 5.144116 4.505100 -0.212691
H 5.227415 2.754934 0.016478
H -1.253629 2.284634 -1.416311
H 4.165721 0.126045 1.647668
H 1.827511 -0.668504 -1.896732
H -2.220881 0.202594 -0.832995
H -1.585267 3.105792 2.315000
H 3.643771 -2.189428 2.512929
H 1.318373 -2.975590 -1.064462
H -2.712363 1.601156 3.938862
H -3.573711 -0.635284 3.190108
H -0.904691 -1.837038 0.034617
H -5.037287 -2.959264 -0.609189
H -0.202269 -3.387813 -1.780378
H -4.313400 -4.544943 -2.414648
H 0.363462 -4.447782 0.618758
H 1.795918 -5.159260 -0.241781
H 1.379695 -5.701615 1.429003
H -1.905337 -4.742840 -2.997614


%chk=000182706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182706

0 1
O 3.174668 0.841488 -0.811303
O 0.290823 2.882361 0.147641
O 0.436117 1.235860 -1.508680
O -3.369322 -1.523745 0.726608
O 2.479534 -4.032003 1.950178
N -1.897404 5.472103 0.341523
C 3.164920 3.286436 -0.913931
C 2.483463 2.027819 -0.301540
C 3.130681 3.263234 -2.459250
C 4.610894 3.404554 -0.380273
C 0.987640 1.960173 -0.656854
C -1.213385 2.931559 -0.072589
C 2.951764 -0.371929 -0.097702
C -1.910501 1.940886 0.847280
C 3.367094 -0.522402 1.248682
C 2.382172 -1.455824 -0.793357
C -2.293697 0.687947 0.311667
C -2.137607 2.243388 2.211318
C -2.890139 -0.270164 1.161611
C 3.191642 -1.757203 1.898882
C 2.214413 -2.702716 -0.148108
C 2.612248 -2.850143 1.204537
C -2.744903 1.276594 3.042539
C -3.119126 0.018816 2.527131
C -1.583118 4.336132 0.164046
C -2.916135 -2.138356 -0.473648
C -1.559441 -2.147523 -0.871895
C -3.898909 -2.843538 -1.201966
C 1.864879 -5.183042 1.283965
C -1.199978 -2.860367 -2.038111
C -3.520509 -3.560144 -2.358052
C -2.171435 -3.566233 -2.784946
H 2.579213 4.154963 -0.551001
H 2.556969 2.082425 0.803821
H 2.098503 3.220972 -2.851786
H 3.610031 4.174119 -2.860306
H 3.674806 2.383332 -2.842835
H 4.632765 3.472293 0.724023
H 5.093683 4.312738 -0.783901
H 5.208806 2.528646 -0.686543
H -1.394800 2.665526 -1.131751
H 3.841557 0.311938 1.777125
H 2.070784 -1.305365 -1.831375
H -2.118381 0.468700 -0.745614
H -1.847521 3.219317 2.614795
H 3.503727 -1.902398 2.937353
H 1.773103 -3.538062 -0.699596
H -2.928361 1.501352 4.098254
H -3.591372 -0.741967 3.155540
H -0.794652 -1.619998 -0.294024
H -4.935652 -2.820855 -0.853217
H -0.153696 -2.856080 -2.362765
H -4.280351 -4.107148 -2.926671
H 0.832860 -4.953637 0.953770
H 2.467846 -5.515371 0.416263
H 1.843130 -5.976896 2.044750
H -1.881538 -4.113468 -3.688118


