%chk=000288894.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288894

0 1
O 1.191745 3.166315 -2.152407
O 1.397936 1.030705 -2.448070
N 0.027078 -0.886845 0.194955
N -1.297452 -1.175873 0.120922
N 1.514864 2.050856 -1.792798
C 0.241813 0.496161 0.349044
C 1.548504 1.124583 0.544401
C -1.966063 0.019305 0.220564
C -1.023401 1.089571 0.365169
C 1.026340 -1.921838 0.053285
C -3.426137 0.118070 0.183100
C 2.144920 1.919652 -0.449838
C 2.209476 0.984261 1.776018
C 0.909169 -3.099779 0.808122
C 2.089307 -1.728429 -0.843600
C 3.350389 2.595424 -0.219074
C -4.036277 1.288666 -0.300269
C -4.223816 -0.950417 0.627938
C 3.423268 1.636437 2.003893
C 3.990014 2.446576 1.012677
C 1.891132 -4.084372 0.674197
C 3.061924 -2.723385 -0.957187
C -5.429056 1.388574 -0.327375
C -5.616001 -0.841798 0.596783
C 2.967595 -3.896067 -0.199084
C -6.220683 0.326583 0.122282
H -1.253735 2.129500 0.478345
H 1.761686 0.365591 2.556761
H 0.057286 -3.246173 1.473765
H 2.139488 -0.824536 -1.460922
H 3.782222 3.232403 -0.995015
H -3.424947 2.113416 -0.663640
H -3.751770 -1.864652 0.989711
H 3.929548 1.518269 2.963910
H 4.931148 2.964409 1.201492
H 1.812691 -5.005029 1.252309
H 3.892689 -2.586982 -1.649766
H -5.898959 2.295856 -0.703541
H -6.231024 -1.671467 0.941369
H 3.729708 -4.668153 -0.296298
H -7.305522 0.408318 0.099573


%chk=000288894-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288894

0 1
O 1.559845 3.507417 -2.380777
O 1.055769 1.283342 -2.501814
N 0.063311 -0.872864 0.200307
N -1.295773 -1.179777 0.207508
N 1.533290 2.313853 -1.888671
C 0.284759 0.508307 0.164301
C 1.606845 1.149145 0.350389
C -1.934712 0.035257 0.173450
C -0.981765 1.106930 0.142994
C 1.018863 -1.941675 0.152003
C -3.407854 0.108457 0.173788
C 2.146812 2.103513 -0.552792
C 2.334522 0.920944 1.548675
C 0.759337 -3.127301 0.879655
C 2.185392 -1.819381 -0.640262
C 3.318268 2.840133 -0.274755
C -4.076414 1.361021 0.118322
C -4.187041 -1.080454 0.229942
C 3.530692 1.615334 1.825887
C 4.018396 2.588571 0.921265
C 1.691943 -4.184383 0.833666
C 3.116382 -2.879857 -0.667328
C -5.485883 1.424569 0.122190
C -5.594682 -1.014669 0.233347
C 2.877542 -4.062527 0.070272
C -6.252582 0.237822 0.180745
H -1.178092 2.176558 0.138527
H 1.936091 0.203696 2.273251
H -0.166444 -3.206392 1.455883
H 2.337644 -0.927727 -1.255690
H 3.667915 3.578916 -1.001261
H -3.497464 2.289911 0.067188
H -3.671165 -2.045141 0.265751
H 4.070815 1.411954 2.756247
H 4.936660 3.141300 1.142598
H 1.493358 -5.103540 1.395495
H 4.017240 -2.789150 -1.283767
H -5.985841 2.398576 0.077195
H -6.181406 -1.939285 0.275320
H 3.599623 -4.885498 0.039843
H -7.347099 0.287802 0.182813


