%chk=000211407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211407

0 1
O 2.916549 0.453196 -1.023329
O -1.808480 0.442940 -1.338757
O 1.679439 -0.896624 0.720812
O -2.022748 -0.580816 0.705793
N 1.825640 3.289252 -0.703660
N -3.810760 -0.394037 -0.819734
C 3.517145 1.703563 -1.484739
C 2.251882 2.493736 -1.901206
C 4.141054 2.509252 -0.333710
C 3.131474 3.645556 -0.039667
C 0.973175 2.484043 0.239717
C -0.405948 2.174345 -0.359374
C -0.419537 0.810025 -1.038874
C 3.704597 -0.475467 -0.383445
C 2.991771 -1.279344 0.562888
C 5.052383 -0.705025 -0.626548
C 3.643676 -2.316213 1.221195
C 5.702513 -1.751016 0.054691
C 5.007415 -2.544716 0.959060
C -2.503252 -0.223049 -0.350258
C 0.852513 -1.696629 1.604277
C -4.855525 -1.070083 -0.112661
C -6.103354 -1.179258 -0.761049
C -4.666414 -1.603570 1.173368
C -7.153013 -1.825774 -0.107744
C -5.732274 -2.245763 1.805158
C -6.974394 -2.360231 1.172582
H 4.211348 1.467848 -2.307347
H 2.482777 3.204334 -2.720718
H 1.452032 1.817559 -2.268574
H 5.130868 2.907816 -0.603251
H 4.293453 1.872714 0.556699
H 3.008233 3.822809 1.043180
H 3.470792 4.603309 -0.486262
H 1.473418 1.532378 0.554291
H 0.835299 3.097877 1.156803
H -1.167236 2.191372 0.447407
H -0.711350 2.970816 -1.068054
H 0.023492 0.823667 -2.054610
H 0.056234 0.012727 -0.431638
H 5.600864 -0.095455 -1.338607
H 3.121858 -2.944591 1.936722
H 6.757480 -1.933672 -0.138751
H 5.515144 -3.355350 1.479199
H -4.029936 -0.022117 -1.749641
H 0.803235 -2.729744 1.253223
H 1.215873 -1.625190 2.631259
H -0.130613 -1.200802 1.494457
H -6.255226 -0.768792 -1.755719
H -3.698002 -1.517123 1.675169
H -8.120143 -1.913597 -0.602804
H -5.590450 -2.660989 2.803311
H -7.798170 -2.862399 1.673768


%chk=000211407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211407

0 1
O 2.928230 0.502848 -0.761610
O -1.963867 0.603221 -1.332219
O 1.612455 -1.297476 0.624042
O -1.998125 -0.641881 0.675787
N 1.894518 3.366401 -0.936337
N -3.908972 -0.326954 -0.690536
C 3.577501 1.669647 -1.408076
C 2.404254 2.479410 -2.017732
C 4.194619 2.650834 -0.367494
C 3.162999 3.841818 -0.299908
C 0.958312 2.746322 0.059689
C -0.433862 2.369052 -0.504287
C -0.525585 0.961498 -1.124084
C 3.721651 -0.485760 -0.165905
C 2.999316 -1.479924 0.570992
C 5.127501 -0.567114 -0.257319
C 3.702030 -2.540819 1.182673
C 5.823221 -1.635815 0.361117
C 5.113000 -2.619904 1.074916
C -2.576665 -0.172566 -0.338444
C 0.825095 -2.255780 1.412683
C -4.923662 -1.046344 -0.002788
C -6.215942 -1.075668 -0.594258
C -4.697789 -1.718055 1.228206
C -7.269605 -1.767857 0.035519
C -5.764638 -2.406668 1.844837
C -7.051725 -2.439786 1.261154
H 4.299521 1.307682 -2.166314
H 2.802317 3.118208 -2.831595
H 1.626441 1.829579 -2.439386
H 5.192051 3.001367 -0.688384
H 4.314348 2.146995 0.606728
H 2.974751 4.184036 0.731197
H 3.550245 4.700779 -0.881204
H 1.394652 1.856784 0.565876
H 0.800217 3.525399 0.828712
H -1.145177 2.388573 0.344514
H -0.759851 3.140887 -1.225790
H -0.106276 0.902207 -2.139421
H -0.042963 0.204823 -0.482178
H 5.686953 0.199212 -0.802433
H 3.158635 -3.306038 1.744707
H 6.914082 -1.687888 0.280644
H 5.645247 -3.448169 1.554494
H -4.171936 0.137889 -1.562495
H 0.905308 -3.276835 0.991006
H 1.154580 -2.263390 2.470223
H -0.208560 -1.889139 1.335894
H -6.393047 -0.557386 -1.545486
H -3.704993 -1.692390 1.681432
H -8.260214 -1.781743 -0.432365
H -5.583592 -2.922423 2.794764
H -7.870200 -2.977999 1.750541


