%chk=000208493.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208493

0 1
O 1.963406 -0.172311 -0.673243
O -1.108058 -0.878435 -1.746504
O 1.512442 -2.345506 -1.125571
N 5.218110 0.471035 0.729015
C -3.711358 -1.568445 -1.282808
C -2.994571 -0.568220 -0.400367
C 3.027534 -0.530371 0.296219
C 3.791918 0.802504 0.415015
C -1.645829 -0.217543 -0.644643
C -4.947761 -0.932297 -1.931760
C -4.084053 -2.820802 -0.478766
C -3.621308 0.041670 0.688945
C -0.946857 0.689837 0.151389
C 2.357849 -0.993210 1.574994
C -1.608317 1.285272 1.237707
C -2.945652 0.959927 1.500557
C 0.213908 -0.531384 -2.185315
C 6.140553 1.499003 0.163073
C 5.425748 0.339518 2.201524
C 1.263037 -1.179464 -1.285704
C -0.892472 2.267434 2.108071
H -3.013779 -1.883634 -2.106316
H 3.645668 -1.329501 -0.172138
H 3.309207 1.473149 1.153921
H 3.724303 1.331141 -0.563885
H -5.706350 -0.660503 -1.190870
H -5.416055 -1.620480 -2.643184
H -4.679825 -0.020410 -2.477207
H -3.195027 -3.267182 -0.016883
H -4.539844 -3.581156 -1.121277
H -4.793587 -2.597921 0.324112
H -4.660783 -0.203648 0.911002
H 1.564920 -0.307147 1.898059
H 3.090992 -1.079646 2.390655
H 1.890887 -1.981018 1.440917
H 0.097060 0.929475 -0.045751
H -3.463616 1.418557 2.338209
H 0.339504 0.565386 -2.254944
H 0.243131 -0.991235 -3.196911
H 6.035698 1.509064 -0.934218
H 5.987454 2.520527 0.539355
H 7.180122 1.203311 0.381090
H 6.442795 -0.046262 2.379843
H 5.302541 1.269618 2.774389
H 4.718833 -0.410890 2.601546
H -1.291685 3.282025 1.961775
H 0.184467 2.311247 1.902206
H -1.010198 2.023427 3.173077


%chk=000208493-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208493

0 1
O 2.087573 0.591319 -0.231210
O -1.245229 -0.034630 -1.582993
O 0.895226 -1.424031 -0.221388
N 5.644332 0.204166 0.913206
C -3.682753 -1.356722 -1.809027
C -3.378543 -0.482248 -0.590355
C 3.168416 -0.011176 0.635444
C 4.447864 0.748854 0.232877
C -2.105318 0.149179 -0.468999
C -5.192156 -1.546979 -2.077914
C -2.973692 -2.734730 -1.658076
C -4.280987 -0.297059 0.479199
C -1.753421 0.909267 0.666126
C 2.785544 0.153247 2.107352
C -2.674716 1.075337 1.733683
C -3.944553 0.466886 1.622896
C 0.085431 0.536623 -1.522237
C 6.102736 -1.080870 0.343740
C 6.742619 1.188583 1.003878
C 1.023308 -0.237774 -0.583406
C -2.288722 1.891357 2.956413
H -3.235047 -0.858227 -2.690765
H 3.229558 -1.083101 0.371811
H 4.327299 1.807474 0.529130
H 4.542077 0.726595 -0.882000
H -5.678540 -2.136469 -1.277730
H -5.337014 -2.100432 -3.023830
H -5.718664 -0.578441 -2.161681
H -1.890150 -2.605007 -1.495059
H -3.120679 -3.346477 -2.568267
H -3.390431 -3.290842 -0.797317
H -5.272744 -0.757817 0.423230
H 2.569915 1.212863 2.335156
H 3.638945 -0.168452 2.729471
H 1.902123 -0.457520 2.358909
H -0.764790 1.375014 0.751409
H -4.673940 0.584584 2.432661
H 0.077339 1.606384 -1.241709
H 0.479864 0.451590 -2.550015
H 5.300694 -1.837151 0.393608
H 6.429213 -0.993641 -0.723712
H 6.955672 -1.460474 0.933496
H 7.571620 0.761910 1.596594
H 7.154138 1.491489 0.007951
H 6.388143 2.098080 1.520032
H -2.075839 2.944296 2.690016
H -1.379420 1.487198 3.440447
H -3.097199 1.892482 3.707356


