%chk=000118305.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118305

0 1
O -0.319238 0.235695 -1.596495
N 1.921569 -1.161815 0.127458
N 3.626961 1.183065 -0.218604
N -1.063818 0.266541 0.575218
C 1.369429 0.237673 0.170761
C 2.223746 1.152785 -0.742747
C 3.341275 -1.131468 0.617751
C 4.192054 -0.204163 -0.271101
C 1.085688 -2.114443 0.936243
C 4.459101 2.150340 -1.011887
C -0.061334 0.239093 -0.410784
C 1.605196 -3.545929 0.806231
C 5.776896 2.427550 -0.287961
C -2.475951 0.192221 0.289895
C -3.323059 1.217390 0.773588
C -3.006527 -0.907581 -0.423061
C -4.702183 1.121773 0.549942
C -4.392721 -0.965038 -0.639321
C -2.769304 2.389774 1.517774
C -2.130661 -1.987633 -0.959668
C -5.231440 0.037990 -0.154972
H 1.382514 0.661933 1.208682
H 2.147626 0.789404 -1.794863
H 1.809727 2.182949 -0.719170
H 3.749926 -2.163108 0.551197
H 3.420551 -0.810403 1.679350
H 5.231163 -0.175493 0.120245
H 4.237153 -0.613297 -1.304631
H 1.014385 -1.828705 2.006906
H 0.044019 -2.089056 0.515651
H 4.657139 1.801525 -2.048733
H 3.885604 3.100787 -1.099375
H 1.809602 -3.794811 -0.245446
H 2.531410 -3.708343 1.367430
H 0.864225 -4.263264 1.176498
H 5.601447 2.650585 0.773633
H 6.459293 1.572000 -0.329944
H 6.291972 3.287261 -0.729395
H -0.827441 0.403547 1.554840
H -5.365787 1.900627 0.919467
H -4.814420 -1.801399 -1.193882
H -1.917086 2.837875 0.985252
H -3.512378 3.188660 1.647679
H -2.427983 2.105136 2.521901
H -1.336995 -2.282113 -0.248132
H -2.682320 -2.892591 -1.234919
H -1.605511 -1.626798 -1.868298
H -6.304918 -0.021529 -0.329101


%chk=000118305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118305

0 1
O -0.287536 -0.535454 -1.607865
N 2.104325 -1.368346 0.126739
N 3.450149 1.210730 -0.089006
N -1.093619 0.073592 0.509368
C 1.344411 -0.094489 0.194278
C 2.081694 1.001177 -0.614634
C 3.488213 -1.160279 0.623371
C 4.207910 -0.061177 -0.172001
C 1.403549 -2.488025 0.808827
C 4.123478 2.349732 -0.766050
C -0.076553 -0.233819 -0.399652
C 2.058035 -3.858256 0.554661
C 5.442021 2.767047 -0.089401
C -2.499029 0.198830 0.218998
C -3.131161 1.434573 0.554951
C -3.235683 -0.886012 -0.338969
C -4.515362 1.579257 0.305729
C -4.617627 -0.689618 -0.589381
C -2.332901 2.579816 1.154556
C -2.596156 -2.226860 -0.631934
C -5.256995 0.527121 -0.274469
H 1.269744 0.261985 1.259507
H 2.075557 0.683559 -1.684965
H 1.522150 1.952679 -0.532890
H 4.049141 -2.104047 0.513353
H 3.492074 -0.878367 1.708361
H 5.215129 0.084904 0.256030
H 4.323647 -0.397560 -1.233661
H 1.325337 -2.306812 1.914154
H 0.372661 -2.519234 0.412490
H 4.312165 2.126001 -1.848457
H 3.420724 3.204955 -0.736736
H 2.189517 -4.016640 -0.530047
H 3.042524 -3.957310 1.045266
H 1.411102 -4.662793 0.949678
H 5.276478 2.955656 0.986110
H 6.226652 1.995891 -0.189322
H 5.829430 3.692827 -0.552844
H -0.783091 0.402059 1.428010
H -5.007395 2.526461 0.555655
H -5.195367 -1.513605 -1.024011
H -1.439951 2.814197 0.545162
H -2.949432 3.491671 1.221154
H -1.977518 2.353783 2.180825
H -1.976529 -2.568370 0.218927
H -3.364468 -2.993778 -0.828577
H -1.925757 -2.155595 -1.507571
H -6.327094 0.653143 -0.472616


