%chk=000245384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245384

0 1
O 1.989802 -0.125069 -0.728594
O -1.005588 3.688787 -0.605695
O 3.048276 -0.101309 1.269437
N -0.703255 1.451227 -0.460083
C -1.142705 0.048628 -0.647929
C -2.020801 -0.430576 0.520340
C 0.592346 1.655306 0.232973
C -2.489607 -1.874339 0.301822
C -1.461164 2.575880 -0.825907
C 1.782655 1.319161 -0.669564
C -2.802019 2.322455 -1.488428
C -3.350108 -2.366510 1.462754
C -3.509009 3.636089 -1.798661
C 2.654996 -0.731747 0.318668
C 2.742030 -2.206553 0.030360
C 4.130292 -2.736243 0.362816
H -1.685751 -0.048560 -1.613304
H -0.236187 -0.598340 -0.743002
H -1.459546 -0.352099 1.472077
H -2.894281 0.238801 0.644284
H 0.665336 2.728161 0.554015
H 0.630009 1.042712 1.162047
H -1.614284 -2.542113 0.178280
H -3.062815 -1.948050 -0.643528
H 1.607258 1.559648 -1.734294
H 2.711939 1.796411 -0.309152
H -3.438052 1.695178 -0.828552
H -2.657064 1.739800 -2.421973
H -2.801853 -2.343872 2.411941
H -3.681716 -3.398641 1.301134
H -4.248211 -1.751148 1.591404
H -3.688288 4.218818 -0.884308
H -4.471360 3.467558 -2.291536
H -2.895731 4.274764 -2.450242
H 2.485761 -2.410404 -1.032584
H 1.968530 -2.728719 0.635490
H 4.896700 -2.315251 -0.300671
H 4.420728 -2.483616 1.393762
H 4.171433 -3.827628 0.264403


%chk=000245384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245384

0 1
O 2.107988 0.388024 -0.829319
O -0.813403 3.563240 -0.813776
O 3.073771 -0.321591 1.174722
N -0.748299 1.315241 -0.259761
C -1.247548 -0.075721 -0.335004
C -2.173939 -0.467590 0.841836
C 0.425724 1.587379 0.596537
C -2.637714 -1.939577 0.758100
C -1.316524 2.397699 -0.927576
C 1.743813 1.688063 -0.186837
C -2.551579 2.130382 -1.804382
C -3.553251 -2.341973 1.934279
C -3.184498 3.437043 -2.316914
C 2.794484 -0.533752 -0.027714
C 3.137495 -1.777801 -0.833397
C 3.832256 -2.863429 0.006835
H -1.778662 -0.222621 -1.291385
H -0.371962 -0.751989 -0.358447
H -1.641349 -0.302399 1.800085
H -3.056182 0.203458 0.853993
H 0.274264 2.560542 1.098576
H 0.504522 0.801983 1.367541
H -1.749265 -2.603770 0.737050
H -3.171855 -2.103323 -0.200415
H 1.647373 2.393337 -1.024531
H 2.561337 1.990870 0.491728
H -3.297266 1.540288 -1.236510
H -2.246941 1.499779 -2.665160
H -3.030409 -2.222860 2.901668
H -3.876523 -3.395658 1.852237
H -4.461130 -1.710828 1.964383
H -3.543611 4.057157 -1.477928
H -4.037273 3.216369 -2.984287
H -2.443202 4.038041 -2.868643
H 3.774819 -1.461333 -1.681680
H 2.203900 -2.156265 -1.292581
H 4.768718 -2.482290 0.448120
H 3.188990 -3.195923 0.839725
H 4.071628 -3.739605 -0.621166


