%chk=000186980.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186980

0 1
O -1.976329 -1.061365 -0.522001
O 0.491287 1.263331 -0.882932
O 3.394266 -0.672345 -0.304626
O -0.964661 -2.836186 0.444940
O 1.169945 -0.726213 -1.716992
O 4.999014 -0.094149 1.199689
N -3.214433 1.772615 1.148273
C -1.966327 1.111924 0.594299
C -2.125444 -0.420878 0.781533
C -3.556613 -0.668147 1.273823
C -4.076459 0.701359 1.743395
C -1.857966 1.601134 -0.839436
C -3.853556 2.521338 0.001320
C -2.901755 2.380925 -1.161687
C -0.715743 1.227808 -1.714366
C -1.329741 -2.286971 -0.567751
C 2.513272 0.446812 0.030808
C 1.355849 0.195248 -0.962932
C 2.031626 0.339251 1.483086
C -1.185191 -2.706232 -1.982964
C 3.209354 1.757533 -0.290034
C 1.363472 -0.991035 1.797743
C 4.595095 -0.852290 0.352348
C 5.222534 -2.088750 -0.188732
H -1.096803 1.483540 1.192500
H -1.341645 -0.835023 1.462455
H -4.171804 -1.071616 0.446631
H -3.588767 -1.421379 2.078052
H -3.976572 0.804291 2.847249
H -5.147191 0.840768 1.505842
H -4.869879 2.164003 -0.253234
H -3.942399 3.582239 0.324906
H -3.097913 2.881821 -2.092914
H -0.516728 1.959680 -2.517757
H -0.849390 0.207870 -2.140433
H 2.910237 0.486569 2.153333
H 1.343404 1.182262 1.699887
H -0.209592 -2.343292 -2.376353
H -1.185730 -3.801952 -2.078259
H -1.968489 -2.294236 -2.634787
H 3.651271 1.750695 -1.294600
H 2.512600 2.606542 -0.238221
H 4.031011 1.952715 0.419201
H 1.894655 -1.835424 1.335176
H 1.338933 -1.178231 2.877767
H 0.321884 -1.043712 1.439302
H 5.354727 -2.838536 0.607651
H 6.218652 -1.873127 -0.605356
H 4.615431 -2.552883 -0.985746


%chk=000186980-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186980

0 1
O -2.200708 -1.281621 -0.605227
O 0.534675 1.286596 -0.759469
O 3.571413 -0.671536 -0.405702
O -1.329012 -3.056199 0.649791
O 1.230715 -0.737333 -1.693671
O 5.297220 -0.041369 1.060703
N -3.360896 1.668968 1.248285
C -2.185321 0.904415 0.685075
C -2.654750 -0.603667 0.633967
C -4.191801 -0.539535 0.707374
C -4.400834 0.675309 1.648665
C -1.885175 1.606075 -0.639629
C -3.783631 2.715615 0.264496
C -2.766318 2.617814 -0.851834
C -0.752150 1.231810 -1.544175
C -1.541474 -2.523863 -0.461786
C 2.682589 0.487885 -0.056037
C 1.436582 0.233979 -0.939432
C 2.285126 0.461090 1.448276
C -1.122976 -3.053473 -1.811064
C 3.358796 1.817029 -0.461661
C 1.680585 -0.874058 1.927967
C 4.817654 -0.824596 0.208161
C 5.495708 -2.076769 -0.310119
H -1.302373 0.970696 1.351656
H -2.241707 -1.162447 1.493389
H -4.599644 -0.328827 -0.298732
H -4.635764 -1.476013 1.084947
H -4.247534 0.374403 2.703519
H -5.408413 1.118497 1.572697
H -4.819384 2.539131 -0.105618
H -3.777711 3.726211 0.723496
H -2.746831 3.310287 -1.699194
H -0.640777 1.952016 -2.372545
H -0.858336 0.209223 -1.942156
H 3.189824 0.701326 2.032636
H 1.561360 1.283704 1.597499
H -0.195546 -2.534519 -2.116809
H -0.922616 -4.132720 -1.739732
H -1.895400 -2.852467 -2.570575
H 3.672586 1.786737 -1.519910
H 2.644956 2.646502 -0.330984
H 4.243377 1.991202 0.170445
H 2.384563 -1.712134 1.783621
H 1.443676 -0.815380 3.005140
H 0.748673 -1.135085 1.394143
H 5.663935 -2.772893 0.530408
H 6.486356 -1.812826 -0.718874
H 4.888113 -2.568888 -1.082325


