%chk=000288929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288929

0 1
O 1.905619 0.733743 -3.997512
O 4.825999 2.712811 -1.056142
O 1.199944 2.594794 1.658210
O 2.479235 1.271968 2.972680
N 1.863112 -0.165858 0.277932
N 3.560156 1.779025 -2.759076
C 1.501776 1.352775 -1.635024
C 2.482766 2.032693 -0.649223
C 1.126065 -0.025236 -1.025192
C 2.667514 1.062007 0.532255
C 2.606221 -1.473743 0.414393
C 3.499803 -1.460813 1.672092
C 1.542830 -2.589258 0.533890
C 2.261045 1.214584 -2.954243
C 3.782486 2.246205 -1.430397
C -0.369195 -0.112510 -0.783740
C 4.165281 -2.826341 1.878966
C 2.211222 -3.954216 0.735790
C 2.140424 1.609568 1.866860
C 3.124693 -3.950177 1.968473
C -1.147298 -0.913469 -1.633570
C -0.985638 0.599000 0.253942
C -2.527389 -1.002454 -1.445792
C -2.364829 0.505401 0.447537
C -3.144538 -0.295359 -0.401565
C 0.624695 3.207417 2.845444
C -4.606908 -0.393710 -0.198189
C -5.487736 -0.054366 -1.237478
C -5.118881 -0.826939 1.035256
C -6.867939 -0.146570 -1.040914
C -6.500098 -0.920357 1.223813
C -7.376176 -0.579883 0.188005
H 0.588540 1.972528 -1.801047
H 2.095889 3.024524 -0.303889
H 1.427922 -0.841502 -1.738152
H 3.762588 0.842860 0.701736
H 3.247002 -1.663355 -0.485206
H 2.892909 -1.189597 2.563110
H 4.278145 -0.675992 1.596510
H 0.892258 -2.616191 -0.359051
H 0.867647 -2.362680 1.384568
H 4.774297 -2.802943 2.803206
H 4.872507 -3.033003 1.052916
H 2.794040 -4.228897 -0.164126
H 1.434255 -4.734644 0.845200
H 4.266624 1.821980 -3.491537
H 3.630406 -4.928067 2.069913
H 2.515573 -3.822644 2.884689
H -0.681499 -1.466817 -2.448742
H -0.380363 1.223844 0.916905
H -3.127374 -1.627422 -2.106326
H -2.839463 1.058550 1.256764
H 0.225737 2.432351 3.508587
H -0.165574 3.840653 2.429756
H 1.396033 3.792965 3.355180
H -5.093485 0.286194 -2.193619
H -4.437570 -1.096555 1.840807
H -7.549062 0.119903 -1.847538
H -6.894633 -1.259994 2.180129
H -8.451509 -0.652377 0.337878


%chk=000288929-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288929

0 1
O 1.614721 0.746795 -4.075738
O 5.204839 1.751938 -1.223217
O 0.970680 2.743337 1.147951
O 2.081340 1.681486 2.899893
N 2.023520 -0.146217 0.275158
N 3.600017 1.235641 -2.884354
C 1.587412 1.336576 -1.637642
C 2.737451 1.911172 -0.781160
C 1.171947 -0.026196 -0.933633
C 2.704509 1.143818 0.561890
C 2.795276 -1.402814 0.542859
C 3.225615 -1.467923 2.032976
C 1.969418 -2.670512 0.204124
C 2.199097 1.079400 -3.018237
C 4.015213 1.637467 -1.595592
C -0.341375 -0.086763 -0.669558
C 4.046110 -2.744120 2.330241
C 2.774494 -3.960138 0.497703
C 1.930008 1.874372 1.673838
C 3.250792 -4.018397 1.966782
C -1.240829 -0.026123 -1.764950
C -0.869543 -0.226338 0.633033
C -2.631806 -0.099936 -1.556917
C -2.263119 -0.292624 0.840724
C -3.175147 -0.233030 -0.248053
C 0.056049 3.377936 2.129729
C -4.648351 -0.312577 -0.028457
C -5.554670 0.380885 -0.878468
C -5.190218 -1.085291 1.036526
C -6.948651 0.304442 -0.673063
C -6.583751 -1.160443 1.245469
C -7.471897 -0.466345 0.391140
H 0.719613 2.005545 -1.720416
H 2.651383 3.001034 -0.633095
H 1.408814 -0.854901 -1.631494
H 3.726431 0.975673 0.944275
H 3.726455 -1.424758 -0.082809
H 2.310332 -1.449775 2.657607
H 3.810543 -0.574848 2.317186
H 1.662403 -2.678738 -0.858521
H 1.041300 -2.659426 0.809116
H 4.333123 -2.757546 3.398832
H 4.989784 -2.722183 1.746219
H 3.657078 -4.002556 -0.173981
H 2.150247 -4.842228 0.258095
H 4.255376 1.048118 -3.647691
H 3.869029 -4.921509 2.133179
H 2.369231 -4.101745 2.635137
H -0.848095 0.067468 -2.786260
H -0.170976 -0.279359 1.475533
H -3.304487 -0.088080 -2.422033
H -2.649695 -0.368938 1.863622
H -0.642672 2.620569 2.522842
H -0.482477 4.147868 1.560205
H 0.632413 3.817084 2.960529
H -5.163481 1.006874 -1.688654
H -4.517213 -1.656701 1.686036
H -7.626117 0.853166 -1.337110
H -6.977321 -1.769229 2.067350
H -8.554071 -0.525951 0.551406


