%chk=000118733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118733

0 1
O -1.102109 -0.705400 -0.794932
O -0.458648 -0.240241 1.373099
N -4.495270 0.126509 0.430271
C 0.040197 -0.337958 0.022501
C -2.294258 -0.852363 0.022374
C -1.761749 -0.862673 1.462665
C 1.092206 -1.423804 -0.094001
C 0.565608 1.019266 -0.397078
C -3.206186 0.346327 -0.297065
C 2.263363 -1.366132 0.683901
C 1.616229 1.630693 0.311591
C 0.898582 -2.482106 -0.993395
C 0.004656 1.657863 -1.512589
C 2.525254 -0.288782 1.648556
C 2.244921 1.012852 1.487136
C 3.223378 -2.389394 0.550769
C 2.079402 2.893588 -0.109297
C 1.859168 -3.484604 -1.122987
C 0.477597 2.902853 -1.925270
C -5.484017 -0.584151 -0.433938
C -5.062572 1.418151 0.917915
C 3.024359 -3.436076 -0.347735
C 1.517520 3.521095 -1.219582
H -2.733193 -1.817872 -0.298200
H -2.329020 -0.230727 2.166637
H -1.624220 -1.875470 1.872602
H -3.313929 0.444945 -1.397624
H -2.706471 1.282002 0.039197
H -0.014833 -2.509236 -1.593821
H -0.803813 1.162679 -2.056859
H 3.008175 -0.625254 2.573002
H 2.502035 1.722704 2.281327
H 4.132275 -2.355540 1.149082
H 2.890021 3.377248 0.433238
H 1.704157 -4.301691 -1.824142
H 0.041714 3.392246 -2.793393
H -5.813363 -0.022646 -1.320505
H -5.052980 -1.539722 -0.771632
H -6.373277 -0.826175 0.170784
H -4.344956 1.886589 1.611564
H -5.978661 1.210673 1.494629
H -5.309077 2.144401 0.129942
H 3.776040 -4.217589 -0.447647
H 1.888249 4.493422 -1.540389


%chk=000118733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118733

0 1
O -1.083878 -0.367897 -1.008547
O -0.476938 0.086630 1.215535
N -4.539952 -0.015819 0.484118
C 0.091595 -0.095340 -0.148891
C -2.233676 -0.744422 -0.134492
C -1.609455 -0.863503 1.271403
C 1.035742 -1.306545 -0.169558
C 0.740721 1.219773 -0.556730
C -3.299734 0.365000 -0.231734
C 2.160967 -1.367219 0.716550
C 1.800110 1.780207 0.225710
C 0.745099 -2.411380 -1.004719
C 0.234012 1.931468 -1.668740
C 2.637238 -0.251753 1.540444
C 2.483253 1.096076 1.328670
C 2.898451 -2.587615 0.784322
C 2.254476 3.093102 -0.104087
C 1.513410 -3.593600 -0.950727
C 0.730246 3.208725 -2.002750
C -5.404704 -0.922238 -0.299663
C -5.289640 1.147501 1.003356
C 2.587407 -3.688185 -0.034349
C 1.735869 3.801341 -1.202390
H -2.623534 -1.711879 -0.499290
H -2.292070 -0.521745 2.063150
H -1.249607 -1.888376 1.482547
H -3.480046 0.597776 -1.309540
H -2.878199 1.274873 0.233996
H -0.102490 -2.328249 -1.690706
H -0.572192 1.475619 -2.248654
H 3.284350 -0.543654 2.379484
H 3.021665 1.762690 2.016896
H 3.746775 -2.648210 1.476940
H 3.048657 3.540366 0.505921
H 1.267129 -4.437712 -1.604311
H 0.322545 3.746050 -2.866059
H -5.820693 -0.440064 -1.220586
H -4.841669 -1.818599 -0.612656
H -6.251726 -1.259302 0.324285
H -4.635916 1.751414 1.656536
H -6.145582 0.795456 1.607394
H -5.689218 1.814948 0.198896
H 3.179862 -4.607414 0.032524
H 2.113841 4.802205 -1.438797


