%chk=000289226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289226

0 1
O -1.269836 0.011848 -1.124884
O 0.656359 3.161967 1.212250
O -0.733483 3.063593 -0.568821
O 3.477319 0.453843 -1.144786
O 4.661356 0.595748 0.659174
N -2.465622 0.193344 0.938594
N 3.603743 0.601581 0.056804
C -3.692275 -0.461504 0.411400
C -3.353518 -1.295798 -0.857815
C -2.462456 -0.512232 -1.820546
C -0.164929 1.023339 0.723107
C 1.097769 0.282568 0.214648
C -1.429891 0.371094 0.196199
C -4.218370 -1.388134 1.518375
C -4.721897 0.633713 0.087289
C 2.366480 0.841178 0.886480
C -1.864909 -1.360595 -2.928657
C 1.029439 -1.212129 0.465986
C -0.158640 2.492102 0.318625
C 0.514835 -1.740217 1.658042
C 1.528312 -2.079298 -0.518694
C 0.495228 -3.123442 1.859579
C 1.508798 -3.460519 -0.311582
C 0.991989 -3.985533 0.877407
C 0.841973 4.603926 1.029231
C 1.854829 4.855067 -0.066285
H -4.279639 -1.612303 -1.368441
H -2.847347 -2.234419 -0.554913
H -2.971570 0.397189 -2.212179
H -0.196402 0.978418 1.852446
H 1.158961 0.458501 -0.900935
H -4.432055 -0.817403 2.432352
H -3.480316 -2.150271 1.793916
H -5.138037 -1.894940 1.214302
H -5.677450 0.205891 -0.228339
H -4.372752 1.307004 -0.703300
H -4.913638 1.259766 0.969525
H 2.518988 0.396742 1.898239
H 2.282413 1.947125 1.068792
H -2.639641 -1.788082 -3.573636
H -1.189720 -0.762528 -3.557570
H -1.261316 -2.185505 -2.525135
H 0.116195 -1.081288 2.428621
H 1.937581 -1.673185 -1.446236
H 0.091812 -3.528619 2.786431
H 1.900445 -4.128477 -1.077578
H 0.978646 -5.061848 1.038150
H 1.197495 4.896371 2.034254
H -0.142144 5.057722 0.812539
H 1.485045 4.504016 -1.042265
H 2.807283 4.346158 0.124470
H 2.070560 5.926358 -0.171632


%chk=000289226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289226

0 1
O -1.254696 -0.035790 -1.303251
O 0.291731 3.221952 1.266204
O -0.190198 2.899202 -0.996114
O 3.739940 -0.027149 -1.257975
O 4.710262 0.022647 0.805075
N -2.390349 0.208164 0.835002
N 3.729203 0.232864 0.001523
C -3.649995 -0.437981 0.337457
C -3.390846 -1.249202 -0.967499
C -2.533248 -0.455987 -1.968632
C -0.072251 0.956584 0.563589
C 1.191389 0.173927 0.058711
C -1.364931 0.330884 0.048824
C -4.134361 -1.381209 1.462539
C -4.696786 0.684582 0.112564
C 2.468137 0.870270 0.584360
C -2.120370 -1.241192 -3.210889
C 1.141413 -1.295930 0.483847
C -0.012562 2.433066 0.150060
C 1.065489 -1.665493 1.851564
C 1.187968 -2.316544 -0.497145
C 1.038461 -3.025303 2.229359
C 1.162884 -3.678664 -0.122512
C 1.087840 -4.037569 1.242748
C 0.387439 4.700301 1.033070
C 1.782752 5.089841 0.537057
H -4.350762 -1.524004 -1.443645
H -2.857425 -2.186755 -0.715698
H -3.043576 0.484027 -2.258589
H -0.129246 0.926617 1.663204
H 1.201100 0.228389 -1.043097
H -4.310363 -0.804638 2.387050
H -3.371971 -2.150128 1.680325
H -5.074232 -1.885986 1.171543
H -5.687488 0.246343 -0.109132
H -4.411338 1.351342 -0.720828
H -4.781409 1.303017 1.022814
H 2.580280 0.808030 1.677163
H 2.508717 1.929104 0.273281
H -3.012175 -1.508889 -3.806111
H -1.446541 -0.637802 -3.842814
H -1.595626 -2.170182 -2.925737
H 1.024284 -0.893942 2.631273
H 1.249028 -2.036856 -1.554888
H 0.981374 -3.295743 3.289644
H 1.209197 -4.456773 -0.892654
H 1.072195 -5.093277 1.535951
H 0.163197 5.128516 2.022659
H -0.391893 4.987444 0.305640
H 1.976767 4.670159 -0.464528
H 2.563517 4.742904 1.236485
H 1.856078 6.190714 0.464153


