%chk=000216402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216402

0 1
O 2.303428 1.421596 -1.088017
O -2.229033 1.553635 -1.112356
O 3.665747 0.891766 0.625814
O -3.638272 1.104322 0.586482
N -0.021240 0.212223 2.857810
C 0.008272 0.704131 0.032087
C -0.022252 -0.519883 -0.914827
C 1.263687 0.692260 0.884417
C -1.254799 0.765532 0.870870
C -0.065209 -1.865430 -0.185262
C 1.225670 0.397478 2.213954
C -1.248277 0.469420 2.200643
C -0.094570 -3.039111 -1.174454
C 2.526774 0.978759 0.199964
C -2.491646 1.124820 0.172979
C 2.395347 0.259871 3.125886
C -2.433734 0.400088 3.099857
C -0.137163 -4.385558 -0.454403
C 3.472787 1.729257 -1.910046
C -3.369554 1.928589 -1.946832
C 4.064612 0.446375 -2.457560
C -4.030068 0.682230 -2.500120
H 0.038639 1.628166 -0.614236
H 0.867613 -0.470617 -1.574820
H -0.900682 -0.419245 -1.584233
H 0.812305 -1.957953 0.482897
H -0.953240 -1.906381 0.474092
H 0.793674 -2.996479 -1.834470
H -0.972469 -2.945142 -1.842946
H -0.033763 -0.035918 3.844232
H 3.358492 0.394067 2.579293
H 2.398375 1.014075 3.924747
H 2.453694 -0.735380 3.587332
H -2.400521 1.151584 3.900553
H -3.381324 0.592191 2.543448
H -2.556016 -0.590847 3.558121
H -0.157925 -5.215841 -1.168754
H 0.739467 -4.526286 0.187656
H -1.026543 -4.474907 0.179270
H 3.014481 2.366212 -2.688222
H 4.194264 2.303863 -1.302098
H -4.062323 2.545255 -1.346759
H -2.866399 2.536707 -2.720367
H 4.846073 0.647750 -3.198454
H 4.515881 -0.153191 -1.652337
H 3.298710 -0.178167 -2.934524
H -4.790457 0.928524 -3.249318
H -3.297284 0.013207 -2.968711
H -4.524330 0.111082 -1.699477


%chk=000216402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216402

0 1
O 2.389844 1.448920 -1.150278
O -2.309748 1.579785 -1.185775
O 3.692209 1.071014 0.752638
O -3.652577 1.310421 0.707292
N -0.028589 0.089810 2.726563
C 0.006344 0.618785 -0.069665
C -0.026763 -0.685003 -0.940768
C 1.268111 0.679434 0.801954
C -1.260946 0.756428 0.784856
C -0.067080 -2.014928 -0.157865
C 1.223016 0.327867 2.140778
C -1.255376 0.403395 2.124001
C -0.089569 -3.248111 -1.090536
C 2.553767 1.058183 0.197188
C -2.512337 1.214941 0.163620
C 2.396669 0.212260 3.088931
C -2.446117 0.359868 3.056684
C -0.128008 -4.586493 -0.321356
C 3.628553 1.861324 -1.867006
C -3.510878 2.070310 -1.917609
C 4.336581 0.645849 -2.475313
C -4.310875 0.901004 -2.501687
H 0.036528 1.456640 -0.785363
H 0.865998 -0.669611 -1.597108
H -0.911486 -0.619495 -1.604750
H 0.815858 -2.083690 0.510305
H -0.963243 -2.039354 0.495585
H 0.803679 -3.222922 -1.747975
H -0.969969 -3.180567 -1.762216
H -0.043631 -0.187896 3.708637
H 3.179346 -0.442911 2.674855
H 2.882019 1.192260 3.237381
H 2.074483 -0.179117 4.072327
H -2.861460 1.370259 3.214360
H -3.268502 -0.231570 2.624444
H -2.164765 -0.066947 4.037932
H -0.146054 -5.451345 -1.010269
H 0.758907 -4.693285 0.331868
H -1.026691 -4.647616 0.321571
H 3.263655 2.555472 -2.641720
H 4.289847 2.391313 -1.158993
H -4.130532 2.666878 -1.224882
H -3.090105 2.716013 -2.705752
H 5.204894 0.977662 -3.075009
H 4.701761 -0.027130 -1.681626
H 3.654187 0.084056 -3.136897
H -5.147716 1.286778 -3.113712
H -3.672993 0.271312 -3.146366
H -4.731344 0.278449 -1.694472


