%chk=000225224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225224

0 1
O 2.139612 0.719883 2.277819
O 4.672938 1.027040 1.422419
O 1.993801 -1.782758 -0.422933
O 6.023192 -0.996874 0.247955
O 3.494856 -0.432732 -2.172376
O -3.431280 -1.975425 -1.744684
O -5.053150 1.843877 0.292423
N -0.738830 -1.362352 -0.353087
N -0.500790 0.485196 0.982317
N -2.853689 1.320524 0.717178
N -4.245867 -0.071073 -0.731095
C 2.459042 0.182127 0.989685
C 3.947887 -0.190716 1.179351
C 1.547293 -1.039068 0.701266
C 4.645891 -0.797324 -0.056438
C 0.116832 -0.625210 0.448188
C -1.973584 -0.698237 -0.346184
C -1.801443 0.440555 0.491376
C 4.536736 0.081134 -1.318610
C -3.211552 -1.030095 -1.017429
C -4.126428 1.081668 0.100951
C -2.671772 2.502372 1.593917
C -5.585987 -0.274738 -1.349876
H 2.329972 0.972905 0.215728
H 4.073789 -0.854834 2.067654
H 1.586021 -1.775932 1.546468
H 4.265089 -1.833483 -0.251997
H -0.531877 -2.205138 -0.869895
H 5.495610 0.106093 -1.866746
H 4.213688 1.118025 -1.104343
H 1.232836 1.132413 2.268763
H 4.269412 1.497875 2.196440
H 2.224141 -1.166698 -1.203225
H 6.402107 -0.182838 0.670520
H -2.383189 2.184183 2.611332
H -3.616473 3.078190 1.655845
H -1.881293 3.160062 1.191503
H -5.845972 0.582457 -1.994941
H -6.360195 -0.368270 -0.568510
H -5.582612 -1.196145 -1.962952
H 3.831337 -1.204838 -2.683477


%chk=000225224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225224

0 1
O 1.949979 1.022544 1.857780
O 4.545054 1.152819 1.439137
O 1.908471 -1.994474 -0.452925
O 6.184139 -0.722077 0.572878
O 3.496688 -0.571335 -1.990046
O -3.464970 -1.939311 -1.837915
O -5.087075 1.864737 0.441250
N -0.771993 -1.353635 -0.396424
N -0.522820 0.410704 1.004722
N -2.847988 1.266096 0.807768
N -4.261247 -0.022843 -0.677753
C 2.426021 0.178822 0.749539
C 3.885855 -0.131098 1.137829
C 1.529177 -1.087600 0.625621
C 4.799913 -0.806385 0.089997
C 0.088683 -0.668211 0.423051
C -2.009164 -0.703100 -0.355194
C -1.824663 0.381072 0.517542
C 4.766069 -0.174767 -1.316327
C -3.248640 -0.986200 -1.030952
C -4.122322 1.084710 0.206847
C -2.635444 2.394090 1.735232
C -5.602572 -0.180478 -1.287592
H 2.392512 0.744552 -0.204429
H 3.875438 -0.761603 2.052500
H 1.610286 -1.657195 1.573462
H 4.558059 -1.879304 0.014191
H -0.505209 -2.170607 -0.949628
H 5.629247 -0.571318 -1.880308
H 4.825703 0.928054 -1.250417
H 0.946483 1.135912 1.753059
H 3.886901 1.675479 1.974094
H 2.452535 -1.491444 -1.153033
H 6.257630 0.156164 1.040572
H -2.299183 2.019134 2.716434
H -3.594736 2.921113 1.840268
H -1.872472 3.082587 1.333409
H -5.867832 0.725901 -1.855481
H -6.360538 -0.330428 -0.501545
H -5.558751 -1.055399 -1.952433
H 3.548875 -0.433880 -2.964481


