%chk=000259138.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259138

0 1
O 4.897703 -2.774763 -1.037394
O 2.273772 0.817186 -2.112939
O 5.595119 2.003815 0.509243
N 2.530289 -0.443791 -0.186524
N -5.922332 1.796637 -0.492726
N 4.088815 -1.312608 -2.668306
N 6.425437 1.838296 2.667372
N -4.591722 1.665619 -0.788475
N -3.922775 0.756317 -0.070710
N 4.298997 -2.205755 -3.758762
N 7.402013 2.857488 2.501995
C 3.999671 -0.555264 -0.334122
C 4.645576 -0.855198 1.033116
C 4.575866 0.338063 2.023674
C 4.376369 -1.661892 -1.364102
C -7.095793 -0.396408 -0.016920
C -6.619038 0.974744 0.523125
C -7.836077 -1.209528 1.069272
C 1.748139 0.265337 -1.081645
C 5.553276 1.455415 1.653035
C 0.281152 0.370142 -0.795152
C -8.317323 -2.582909 0.553699
C -0.410419 -0.457630 0.129718
C -0.457302 1.349987 -1.513734
C -2.524722 0.693506 -0.371606
C -6.682289 2.684385 -1.379184
C -1.792470 -0.298744 0.337463
C -1.834102 1.521114 -1.306679
H 4.365007 0.418518 -0.710862
H 4.156769 -1.741901 1.482256
H 5.694412 -1.153106 0.863930
H 4.770758 -0.019499 3.052849
H 3.555571 0.768945 2.015232
H 2.097104 -0.916158 0.608226
H -6.214654 -0.962071 -0.372686
H -7.766112 -0.246476 -0.887337
H -5.911472 0.813442 1.355431
H -7.479595 1.565855 0.889612
H -7.161376 -1.355348 1.936929
H -8.704456 -0.627457 1.441017
H 3.571356 -0.438059 -2.859905
H -8.841303 -3.149429 1.344994
H -9.014843 -2.466637 -0.297053
H -7.464641 -3.195647 0.206587
H 0.105132 -1.258098 0.675322
H 0.086831 1.966776 -2.236456
H -7.329430 3.355765 -0.786415
H -7.320632 2.111830 -2.080817
H -5.966264 3.284922 -1.959868
H 6.409640 1.390918 3.584924
H -2.335809 -0.938176 1.040587
H -2.392157 2.283399 -1.857155
H 3.900849 -3.130958 -3.539119
H 5.306734 -2.294878 -3.955142
H 8.048540 2.608987 1.739157
H 6.945607 3.758179 2.296729


%chk=000259138-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259138

0 1
O 4.687480 -2.891883 -1.660117
O 2.563954 1.133388 -1.828413
O 6.485088 0.854342 1.537929
N 2.629485 -0.616866 -0.309995
N -5.715471 1.776954 -0.702752
N 4.296118 -0.948766 -2.895869
N 4.593690 1.905535 2.379585
N -4.392548 1.655955 -0.977645
N -3.723965 0.939180 -0.088456
N 4.399312 -1.591825 -4.164435
N 5.159934 3.208598 2.392079
C 4.091958 -0.789121 -0.458293
C 4.715202 -1.412239 0.803385
C 4.521610 -0.543128 2.066856
C 4.403531 -1.654457 -1.713052
C -6.760275 -0.327667 0.233804
C -6.365093 1.150764 0.471421
C -7.455488 -0.937981 1.471846
C 1.945375 0.373742 -1.000204
C 5.291606 0.779203 1.959746
C 0.479111 0.510567 -0.741436
C -7.853096 -2.414285 1.257633
C -0.181950 -0.080609 0.369793
C -0.284591 1.289147 -1.654079
C -2.329590 0.852424 -0.375323
C -6.511262 2.500222 -1.698622
C -1.566362 0.086669 0.548756
C -1.665830 1.460805 -1.482897
H 4.507401 0.220902 -0.629735
H 4.306496 -2.427807 0.960639
H 5.797185 -1.533931 0.622779
H 4.925216 -1.092633 2.939190
H 3.448140 -0.356871 2.264213
H 2.112153 -1.354867 0.171260
H -5.846786 -0.903293 -0.005297
H -7.434934 -0.400229 -0.643164
H -5.652089 1.208545 1.313569
H -7.259257 1.755837 0.713179
H -6.777248 -0.859954 2.345470
H -8.358375 -0.343312 1.721574
H 3.868906 -0.008031 -2.880774
H -8.348481 -2.831801 2.153083
H -8.550888 -2.519017 0.405622
H -6.964394 -3.036007 1.041651
H 0.377819 -0.650379 1.121738
H 0.243194 1.752632 -2.494084
H -7.018260 3.369519 -1.239466
H -7.280606 1.842418 -2.146410
H -5.832727 2.851550 -2.490174
H 3.627560 1.844215 2.704197
H -2.085938 -0.359133 1.403025
H -2.248396 2.057336 -2.190441
H 4.024787 -2.550079 -4.093320
H 5.382493 -1.617504 -4.471764
H 6.028660 3.211951 2.945083
H 5.347836 3.528473 1.430809


