%chk=000223567.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223567

0 1
O -1.056644 -0.868952 -0.007473
O 4.209008 -2.290198 -0.002474
O 5.296177 2.200021 0.015082
N 1.235060 -1.403846 -0.004369
N 3.051446 1.696201 0.009079
N 4.753272 -0.052430 0.006517
N 0.693946 0.851259 0.001604
C -4.575650 0.387567 -0.007937
C -5.898473 -0.390309 -0.005291
C -3.374193 -0.565024 -0.005693
C -7.103712 0.559320 -0.007331
C 2.448055 -0.670729 0.000373
C -2.070109 0.220095 -0.005432
C 2.078849 0.703168 0.003978
C 0.225070 -0.452477 -0.003374
C -8.428752 -0.216190 -0.005569
C 3.806110 -1.143818 0.001025
C 4.439633 1.336042 0.010555
C 1.125602 -2.863202 -0.008406
C -9.632022 0.723782 -0.008377
C 2.662256 3.127052 0.012797
C 6.206400 -0.379163 0.008064
H -4.532337 1.056073 0.874671
H -4.532905 1.051007 -0.894392
H -5.944702 -1.054406 0.879738
H -5.945399 -1.059167 -0.886709
H -3.409248 -1.238537 -0.886670
H -3.410866 -1.236600 0.876672
H -7.061079 1.228353 0.873739
H -7.061149 1.224544 -0.891306
H -1.910087 0.827541 0.901096
H -1.910701 0.829313 -0.910877
H -8.475454 -0.884774 -0.887523
H -8.475855 -0.879986 0.879965
H 1.620025 -3.290407 0.887135
H 0.065948 -3.173685 -0.019902
H 1.638493 -3.286639 -0.895391
H -9.638943 1.374874 0.873227
H -10.573059 0.162047 -0.007528
H -9.638082 1.370729 -0.893034
H 2.057361 3.355796 0.908134
H 2.061129 3.361498 -0.883602
H 3.566106 3.766600 0.016736
H 6.344361 -1.477172 0.004673
H 6.694131 0.039905 0.904940
H 6.697383 0.045826 -0.884239


%chk=000223567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223567

0 1
O -0.980883 -1.015057 -0.004752
O 4.368955 -2.308975 -0.002160
O 5.261970 2.327989 0.012756
N 1.343515 -1.490519 -0.002898
N 3.008967 1.666962 0.008019
N 4.785821 0.032228 0.005624
N 0.724165 0.723963 0.002424
C -4.562247 0.336424 -0.005422
C -5.935306 -0.373049 -0.006884
C -3.381634 -0.663152 -0.005472
C -7.129559 0.607121 -0.007066
C 2.532783 -0.723624 0.000957
C -2.033660 0.052733 -0.002965
C 2.109138 0.614341 0.004079
C 0.309365 -0.573121 -0.001743
C -8.501095 -0.106278 -0.008487
C 3.910036 -1.123265 0.001116
C 4.402443 1.399777 0.009033
C 1.230177 -2.955798 -0.006171
C -9.691514 0.876688 -0.008544
C 2.534639 3.063033 0.011109
C 6.245315 -0.217141 0.006545
H -4.493497 0.997066 0.883749
H -4.492295 0.998448 -0.893463
H -6.005338 -1.035882 0.880751
H -6.004078 -1.034691 -0.895506
H -3.443668 -1.317147 -0.896532
H -3.445709 -1.319680 0.883577
H -7.063699 1.269385 0.881664
H -7.062471 1.270572 -0.894817
H -1.885788 0.679093 0.895839
H -1.884717 0.683158 -0.898768
H -8.566011 -0.767990 -0.896432
H -8.567181 -0.769269 0.878420
H 1.711778 -3.377817 0.890582
H 0.161628 -3.218912 -0.017161
H 1.729973 -3.374481 -0.894355
H -9.667117 1.529212 0.884900
H -10.658900 0.341490 -0.009596
H -9.665928 1.530568 -0.900964
H 1.919407 3.253301 0.906647
H 1.921827 3.258078 -0.885062
H 3.421244 3.713679 0.014048
H 6.389756 -1.307511 0.003402
H 6.706874 0.231782 0.901396
H 6.708920 0.237171 -0.884520


