%chk=000211553.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211553

0 1
O 7.268174 -0.109865 0.215370
O 0.996838 -2.171387 0.662286
O -3.062440 1.672153 -1.682590
N 4.466682 0.397103 0.428594
N 0.730525 0.087444 0.805990
N 0.016941 1.223538 0.711727
C 3.047881 0.432763 -0.047930
C 4.998849 -1.006120 0.423615
C 5.345763 1.277940 -0.408310
C 2.162004 0.266080 1.205724
C 6.425580 -0.987443 0.992072
C 6.766322 1.241310 0.179743
C 0.233839 -1.234387 0.508291
C -1.172475 -1.265942 0.066215
C -1.261772 1.152790 0.339439
C -1.888600 -0.108979 0.001741
C -1.754641 -2.570341 -0.301183
C -2.022575 2.414547 0.286822
C -2.940993 2.690030 -0.760159
C -1.845319 3.391274 1.276307
C -2.623123 -2.663138 -1.403286
C -1.456301 -3.723771 0.444034
C -3.653160 3.894061 -0.812369
C -2.554511 4.596568 1.234237
C -3.196598 -3.891074 -1.741148
C -2.035854 -4.947344 0.101556
C -3.451791 4.843842 0.193853
C -2.908597 -5.033664 -0.987898
C -3.902677 1.898998 -2.841077
H 2.811330 -0.353401 -0.797778
H 2.819371 1.406511 -0.532663
H 5.002507 -1.464162 -0.589342
H 4.340602 -1.636155 1.060930
H 4.948659 2.314449 -0.365160
H 5.373308 0.974470 -1.476786
H 2.264907 1.150337 1.873791
H 2.466591 -0.634645 1.791190
H 6.443545 -0.660565 2.046537
H 6.932606 -1.961674 0.881498
H 7.499729 1.750321 -0.469193
H 6.796027 1.662114 1.200410
H -2.938429 -0.094051 -0.311632
H -1.137441 3.206065 2.088528
H -2.841498 -1.780671 -2.002015
H -0.754619 -3.665014 1.279397
H -4.353282 4.100700 -1.615039
H -2.401669 5.340091 2.013465
H -3.867465 -3.958610 -2.595581
H -1.801644 -5.837449 0.683837
H -4.002943 5.784153 0.161174
H -3.358050 -5.988811 -1.252090
H -3.767903 0.963159 -3.399404
H -3.535153 2.752970 -3.417670
H -4.944360 2.028484 -2.534070


%chk=000211553-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211553

0 1
O 7.375074 -0.148135 0.442668
O 1.130788 -2.200663 0.614677
O -3.428499 1.641636 -1.633889
N 4.521650 0.389843 0.466531
N 0.753063 0.096134 0.764479
N 0.038289 1.257978 0.640160
C 3.116435 0.404363 0.006239
C 5.048337 -0.986512 0.672796
C 5.442696 1.163982 -0.404962
C 2.153789 0.277049 1.212819
C 6.451619 -0.918775 1.294835
C 6.841328 1.207963 0.233433
C 0.314427 -1.233774 0.454961
C -1.077541 -1.310202 -0.028477
C -1.238394 1.154151 0.199944
C -1.806591 -0.124268 -0.124202
C -1.679199 -2.615701 -0.407134
C -1.992857 2.438162 0.146208
C -3.081677 2.682356 -0.750818
C -1.608773 3.494325 1.014851
C -2.757627 -2.658542 -1.339945
C -1.225030 -3.845495 0.151339
C -3.751678 3.930431 -0.750564
C -2.267741 4.739624 1.016071
C -3.372847 -3.877700 -1.685475
C -1.848464 -5.063957 -0.192457
C -3.346992 4.954844 0.131523
C -2.924857 -5.089704 -1.107902
C -4.461713 1.905194 -2.639811
H 2.903340 -0.416080 -0.718826
H 2.915188 1.364143 -0.504694
H 5.100815 -1.543592 -0.295904
H 4.371515 -1.548620 1.341554
H 5.056006 2.194925 -0.513715
H 5.523728 0.713358 -1.426119
H 2.192225 1.188604 1.826761
H 2.425188 -0.600971 1.818662
H 6.390562 -0.448794 2.300171
H 6.899343 -1.922739 1.379210
H 7.566290 1.711564 -0.427507
H 6.785392 1.742772 1.206448
H -2.850382 -0.146737 -0.437626
H -0.770094 3.308672 1.692098
H -3.095393 -1.734844 -1.823477
H -0.376919 -3.834932 0.839024
H -4.585083 4.111830 -1.434857
H -1.947874 5.528842 1.703798
H -4.192737 -3.886358 -2.412542
H -1.486566 -5.997251 0.253185
H -3.876879 5.913680 0.124233
H -3.401228 -6.039121 -1.376974
H -4.517603 0.983963 -3.238514
H -4.179607 2.755250 -3.289744
H -5.443546 2.103428 -2.168545


