%chk=000180357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180357

0 1
O -1.142419 1.147737 0.189694
O 0.090224 2.755721 -0.892914
O -0.193644 -3.288297 0.625581
O -2.643952 -2.221576 -0.090454
N 1.122304 1.118682 0.387187
N -1.420890 -1.708272 -0.566571
C 2.525715 1.426793 -0.041268
C 1.090433 -0.255050 0.972587
C 3.356859 0.751096 1.076336
C 2.470693 -0.365246 1.671220
C 2.815148 0.877519 -1.451610
C 0.921391 -1.288016 -0.122610
C 2.925798 -0.649082 -1.548163
C 1.687904 -1.424197 -1.212365
C 0.031820 1.756466 -0.199634
C -0.251081 -2.205010 0.086170
C -2.452374 1.858022 -0.002586
C -2.716250 1.941947 -1.497292
C -3.387993 0.899043 0.725639
C -2.365609 3.218278 0.671573
C -2.927783 -3.519274 -0.693123
H 2.657734 2.537790 -0.043992
H 0.249063 -0.310433 1.708975
H 3.620897 1.489799 1.853549
H 4.307376 0.350748 0.688915
H 2.914023 -1.363735 1.516989
H 2.359133 -0.238827 2.761606
H 3.756967 1.329039 -1.822608
H 2.023914 1.239183 -2.143700
H 3.746299 -1.007902 -0.884191
H 3.253049 -0.906618 -2.578995
H 1.441743 -2.199201 -1.949611
H -1.561308 -0.681374 -0.581834
H -3.698854 2.377694 -1.707287
H -2.679251 0.959268 -1.980672
H -1.961873 2.573940 -1.996355
H -3.001375 0.645650 1.722336
H -3.520922 -0.052599 0.190964
H -4.382075 1.340219 0.856383
H -1.643733 3.875535 0.158096
H -2.034931 3.133480 1.713506
H -3.331590 3.733393 0.667613
H -2.939879 -3.449145 -1.782280
H -3.924396 -3.724378 -0.287244
H -2.194408 -4.256311 -0.344063


%chk=000180357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180357

0 1
O -1.196671 1.130771 0.187216
O 0.059191 2.825553 -0.911592
O -0.018759 -3.692921 -0.293966
O -2.532542 -2.544360 0.470740
N 1.099037 1.010513 0.122804
N -1.321894 -1.815002 0.221985
C 2.488599 1.399844 -0.225894
C 1.105746 -0.294316 0.826212
C 3.261568 0.961250 1.048752
C 2.463845 -0.256196 1.617977
C 2.972270 0.699041 -1.525760
C 1.028128 -1.467723 -0.163621
C 3.180492 -0.840999 -1.448952
C 1.957365 -1.689674 -1.137849
C 0.006303 1.744811 -0.262556
C -0.124736 -2.446131 -0.068711
C -2.525410 1.879119 0.027196
C -2.846287 2.011612 -1.474261
C -3.521713 0.947596 0.742509
C -2.438224 3.241864 0.742740
C -3.010228 -3.228994 -0.766541
H 2.513281 2.490999 -0.384464
H 0.258760 -0.333749 1.527989
H 3.267923 1.790117 1.777218
H 4.311049 0.704080 0.820918
H 3.005830 -1.207335 1.492743
H 2.267539 -0.126523 2.695362
H 3.939819 1.158243 -1.811414
H 2.254047 0.935107 -2.333385
H 3.973395 -1.062356 -0.701736
H 3.594476 -1.171568 -2.419621
H 1.807003 -2.586326 -1.755172
H -1.427980 -0.787956 0.284110
H -3.853442 2.450223 -1.598396
H -2.841443 1.018993 -1.959642
H -2.111025 2.659864 -1.975377
H -3.234705 0.801009 1.798373
H -3.584452 -0.042816 0.258553
H -4.527680 1.402999 0.717692
H -1.717425 3.907407 0.244505
H -2.138287 3.106185 1.797282
H -3.434175 3.721265 0.729056
H -3.191322 -2.493661 -1.573439
H -3.954314 -3.703798 -0.455958
H -2.271055 -3.983558 -1.080129


