%chk=000271394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271394

0 1
O -0.902951 -1.700985 0.567875
O -1.020640 -0.312236 -2.282801
O 4.895998 0.097340 -1.010670
O 2.954754 -0.860520 -1.640601
N 0.728975 -0.152799 -0.205580
C -0.684404 -0.360914 0.112307
C 1.610128 0.546164 0.606748
C -1.541111 -0.299918 -1.197009
C 3.001005 0.592726 0.291699
C -3.006958 -0.156948 -0.977438
C 1.146418 1.249282 1.757780
C -0.344550 -2.025413 1.876517
C 3.868441 1.345406 1.112281
C 2.028486 1.973211 2.539226
C -3.664429 -0.885570 0.023408
C -3.733581 0.698804 -1.819972
C 3.399418 2.027563 2.223556
C 3.539834 -0.128969 -0.861880
C -0.857353 -3.428514 2.137282
C -5.044230 -0.745864 0.190345
C -5.111513 0.842722 -1.641758
C -5.766073 0.121209 -0.637306
C 5.534100 -0.575085 -2.129972
H -1.053944 0.371678 0.873262
H 1.091512 -0.669824 -1.035939
H 0.088801 1.228418 2.011136
H 0.756626 -1.983254 1.801655
H -0.705031 -1.289069 2.613349
H 4.932693 1.378440 0.852378
H 1.660739 2.512464 3.414626
H -3.093527 -1.573228 0.658078
H -3.218326 1.242228 -2.614915
H 4.077890 2.602140 2.847405
H -0.653460 -4.082208 1.274717
H -1.942547 -3.445446 2.293687
H -0.376291 -3.873207 3.015711
H -5.558200 -1.315271 0.963041
H -5.676411 1.510710 -2.290410
H -6.841961 0.231447 -0.502652
H 5.057640 -0.264927 -3.065898
H 6.568235 -0.224584 -2.057226
H 5.454102 -1.658798 -1.998940


%chk=000271394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271394

0 1
O -1.056463 -1.762015 0.738768
O -0.856034 -0.319233 -2.188819
O 4.809027 0.349948 -1.221145
O 2.749615 -0.568101 -1.774217
N 0.734400 -0.248489 -0.018979
C -0.669039 -0.414303 0.241307
C 1.651230 0.410572 0.795866
C -1.473738 -0.297290 -1.089096
C 3.018504 0.597837 0.358987
C -2.957480 -0.139694 -1.015386
C 1.292250 0.929265 2.081607
C -0.426142 -2.139012 2.022901
C 3.940130 1.289658 1.193970
C 2.222903 1.613498 2.878477
C -3.681220 -0.237052 0.204306
C -3.659901 0.135813 -2.221696
C 3.559663 1.802786 2.443121
C 3.464796 0.073910 -0.947192
C -0.878616 -3.563972 2.337449
C -5.079713 -0.054167 0.214766
C -5.055813 0.318338 -2.208377
C -5.769509 0.226334 -0.988268
C 5.303925 -0.154796 -2.521684
H -1.019080 0.349696 0.966803
H 1.081698 -0.557215 -0.946003
H 0.276817 0.792562 2.462287
H 0.675648 -2.078754 1.927534
H -0.748762 -1.429683 2.818027
H 4.963271 1.411526 0.828742
H 1.905814 1.998593 3.854644
H -3.157308 -0.496030 1.128767
H -3.085290 0.202262 -3.151569
H 4.281262 2.333730 3.071073
H -0.557371 -4.252947 1.537844
H -1.978213 -3.617453 2.418038
H -0.438285 -3.903213 3.292966
H -5.634594 -0.138048 1.155519
H -5.589358 0.532313 -3.140740
H -6.856033 0.368615 -0.976321
H 4.724108 0.285360 -3.350234
H 6.356178 0.160601 -2.560600
H 5.215029 -1.253350 -2.566341


