%chk=000179476.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179476

0 1
O -1.331456 3.452103 -1.295685
O -1.939301 3.982181 0.705719
O 5.009817 -1.527376 -0.263337
O -4.459302 -2.170835 -0.337209
N -1.234804 3.376713 -0.079641
C -0.090672 2.473423 0.498550
C 0.065422 1.248495 -0.459750
C 1.386400 0.522910 -0.311929
C -1.111227 0.298232 -0.365474
C -0.489764 2.103564 1.921127
C 1.145236 3.374461 0.464945
C 1.969410 0.226045 0.922751
C -1.129504 -0.787019 0.515210
C 2.042668 0.107002 -1.492448
C -2.219662 0.511121 -1.214749
C 3.187486 -0.458393 1.010111
C -2.227322 -1.654272 0.575478
C 3.248591 -0.575020 -1.437663
C -3.319785 -0.331169 -1.176707
C 3.817582 -0.853737 -0.174417
C -3.314041 -1.417761 -0.273024
C 5.698419 -1.885540 0.979010
C -4.575315 -3.333474 0.545969
C 6.939674 -2.603041 0.487388
C -5.938080 -3.896165 0.193900
H 0.056723 1.684715 -1.507488
H -1.427926 1.529080 1.952127
H 0.287522 1.487469 2.399309
H -0.648118 2.993020 2.548748
H 2.026263 2.851615 0.863854
H 1.015665 4.282560 1.068386
H 1.405485 3.685553 -0.556795
H 1.472672 0.532707 1.850189
H -0.277956 -0.979544 1.168580
H 1.592910 0.320017 -2.464154
H -2.215037 1.356800 -1.910520
H 3.615372 -0.670894 1.982850
H -2.213484 -2.488746 1.266534
H 3.764468 -0.902056 -2.338183
H -4.182454 -0.177166 -1.821676
H 5.929202 -0.957365 1.528903
H 5.032789 -2.536810 1.570643
H -4.512549 -2.984497 1.590687
H -3.751075 -4.029587 0.314924
H 7.566315 -2.937524 1.321590
H 6.678100 -3.482723 -0.118024
H 7.547430 -1.952286 -0.157453
H -6.170279 -4.786361 0.788575
H -6.731180 -3.153967 0.364075
H -5.993128 -4.170360 -0.869306


%chk=000179476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179476

0 1
O -1.151931 3.674377 -1.363397
O -2.293011 3.584625 0.595514
O 5.222533 -1.427366 -0.310257
O -4.651098 -2.158412 -0.344116
N -1.272345 3.314285 -0.130779
C -0.071946 2.491622 0.493778
C 0.065730 1.208814 -0.443515
C 1.422779 0.507743 -0.306070
C -1.153173 0.271508 -0.364120
C -0.418298 2.214994 1.962360
C 1.158307 3.418012 0.352270
C 1.949341 -0.015670 0.901737
C -1.225286 -0.847228 0.499671
C 2.211990 0.347006 -1.479601
C -2.272384 0.522179 -1.208604
C 3.205050 -0.662931 0.951286
C -2.365302 -1.681249 0.545056
C 3.460311 -0.298352 -1.455041
C -3.414748 -0.295865 -1.179261
C 3.967468 -0.807583 -0.234019
C -3.470102 -1.402758 -0.296900
C 5.797741 -1.977007 0.933974
C -4.759243 -3.323084 0.556154
C 7.152153 -2.576679 0.566637
C -6.129477 -3.947773 0.307555
H 0.057385 1.645942 -1.460467
H -1.267733 1.521046 2.059315
H 0.462109 1.785063 2.467728
H -0.682027 3.151903 2.480148
H 2.044289 2.912768 0.769546
H 0.999948 4.361561 0.904192
H 1.353516 3.654993 -0.706528
H 1.388421 0.075740 1.836989
H -0.373886 -1.101431 1.137730
H 1.834666 0.734429 -2.433597
H -2.247832 1.369294 -1.904320
H 3.568726 -1.047413 1.908785
H -2.373123 -2.537940 1.225497
H 4.058401 -0.417945 -2.363467
H -4.271548 -0.098767 -1.830572
H 5.906485 -1.163301 1.680686
H 5.114193 -2.747583 1.346756
H -4.654781 -2.986859 1.608644
H -3.942874 -4.040624 0.331681
H 7.634190 -3.005212 1.464102
H 7.033112 -3.377222 -0.183104
H 7.818266 -1.804219 0.146234
H -6.268626 -4.830214 0.958346
H -6.932365 -3.222583 0.523528
H -6.225771 -4.268536 -0.743658


