%chk=000230331.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230331

0 1
O -3.642761 -3.221702 0.288907
O -2.500210 -0.098073 -2.773637
O -1.356416 0.608666 1.665096
O -4.352819 -1.102100 0.642108
O 4.541607 0.498499 3.422561
O 5.043849 0.540335 -2.021664
N -1.962583 -0.099074 -0.497435
N 3.348098 0.236390 0.514794
C -2.091652 -1.554701 -0.304787
C -1.015288 -2.143011 0.621705
C 0.367361 -1.974729 0.048229
C -2.213719 0.521219 -1.785169
C -1.635516 0.867082 0.523401
C -2.029206 1.988623 -1.545527
C -1.694391 2.195427 -0.178313
C 2.516874 -0.828014 0.066402
C 1.216427 -1.003271 0.587331
C -3.488210 -1.852544 0.271740
C 0.796368 -2.790979 -1.006650
C 2.954695 0.972051 1.743463
C 4.826625 0.082472 0.374929
C 2.944393 -1.654135 -1.000498
C 2.085043 -2.617763 -1.520961
C -2.146169 3.045860 -2.422030
C -1.479919 3.462272 0.319766
C 3.177933 0.197114 3.051992
C 5.337312 1.042502 -0.712042
C -1.923445 4.348007 -1.913579
C -1.599983 4.550938 -0.577138
C -4.912727 -3.730313 0.779232
H -2.027075 -2.044427 -1.325254
H -1.234509 -3.223138 0.784665
H -1.082019 -1.673049 1.630993
H 0.850439 -0.379462 1.401990
H 0.140493 -3.549114 -1.422756
H 3.550938 1.916914 1.781053
H 1.885926 1.275984 1.657873
H 5.338069 0.297561 1.346068
H 5.109485 -0.961536 0.110965
H 3.942236 -1.536571 -1.426716
H 2.423785 -3.247517 -2.345000
H -2.402156 2.890525 -3.471153
H -1.229458 3.626852 1.368275
H 2.506994 0.549741 3.854948
H 3.069549 -0.894601 2.925770
H 4.908989 2.055018 -0.607738
H 6.442313 1.099322 -0.711246
H -2.010954 5.200143 -2.589954
H -1.434959 5.562879 -0.203145
H -4.785485 -4.814137 0.688333
H -5.724560 -3.357998 0.146200
H -5.055972 -3.417710 1.818232
H 4.780147 0.028073 4.243614
H 4.068913 0.491396 -2.149045


%chk=000230331-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230331

0 1
O -3.717320 -3.232496 0.527653
O -2.267646 -0.234770 -2.838728
O -1.540970 0.546088 1.753561
O -4.381650 -0.999584 0.555008
O 4.500572 0.248560 3.471347
O 4.586088 1.117392 -1.999593
N -1.919625 -0.195995 -0.485274
N 3.414217 0.092753 0.617953
C -2.116142 -1.631247 -0.273384
C -0.985252 -2.305699 0.569144
C 0.394142 -2.075591 -0.032484
C -2.038381 0.399754 -1.781309
C -1.686586 0.777538 0.526529
C -1.836569 1.866247 -1.571259
C -1.632501 2.093448 -0.189374
C 2.565460 -0.867823 0.025799
C 1.267025 -1.137917 0.563452
C -3.519051 -1.869824 0.319093
C 0.807816 -2.789848 -1.183632
C 2.948061 0.918462 1.743211
C 4.861940 0.168685 0.307445
C 2.959144 -1.594998 -1.143056
C 2.089316 -2.540078 -1.721586
C -1.835889 2.920610 -2.496310
C -1.422553 3.384837 0.315782
C 3.065079 0.257685 3.129006
C 5.204623 1.302025 -0.680632
C -1.623108 4.231469 -1.995718
C -1.420501 4.460070 -0.610729
C -5.051717 -3.612541 1.057233
H -2.116542 -2.081271 -1.286648
H -1.226742 -3.382401 0.601196
H -1.030149 -1.915031 1.599194
H 0.918765 -0.623598 1.464225
H 0.144187 -3.529063 -1.647337
H 3.548517 1.847158 1.770818
H 1.898233 1.223717 1.577786
H 5.407609 0.328187 1.255711
H 5.198942 -0.797498 -0.105584
H 3.926163 -1.406351 -1.617036
H 2.418688 -3.079310 -2.617362
H -1.994740 2.731493 -3.562430
H -1.273534 3.550334 1.387392
H 2.491762 0.855581 3.869942
H 2.656774 -0.771896 3.099904
H 4.913376 2.283721 -0.246386
H 6.291469 1.316571 -0.873441
H -1.616209 5.081044 -2.686825
H -1.262623 5.483304 -0.253330
H -5.013070 -4.706200 1.153936
H -5.840627 -3.300706 0.352729
H -5.223325 -3.129493 2.033359
H 4.647453 -0.287112 4.289830
H 3.610304 0.993805 -1.869587


