%chk=000212341.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212341

0 1
O -0.997989 0.963879 -0.553010
O 0.831237 2.254787 -0.869563
O 3.043437 1.082463 0.250174
O 2.747271 -0.991443 1.190953
N 0.963488 0.152586 0.246594
N 6.662777 0.320780 -0.154935
C -3.676970 0.564559 0.604791
C -4.280742 -0.380433 -0.464068
C -1.370128 -0.343515 0.055986
C -2.367859 -0.025780 1.168509
C -3.265221 -0.590578 -1.602711
C -1.953082 -1.186862 -1.079662
C -4.685123 0.812741 1.741710
C -5.593421 0.208726 -1.014557
C -5.998725 1.384788 1.191818
C -6.598047 0.469125 0.115653
C -0.024738 -0.907716 0.596014
C 0.343382 1.250972 -0.439992
C 2.316042 -0.011579 0.620926
C 4.476343 1.058078 0.574070
C 5.201029 0.162690 -0.437718
C 7.456316 0.348262 -1.418148
C 7.151485 -0.762496 0.748517
H -3.432265 1.542079 0.117106
H -4.504455 -1.365348 0.010035
H -1.919848 0.695867 1.880833
H -2.581651 -0.944816 1.747608
H -3.050810 0.378162 -2.100997
H -3.691225 -1.249436 -2.381154
H -2.120887 -2.221910 -0.722573
H -1.223005 -1.255066 -1.911474
H -4.254713 1.510940 2.483489
H -4.887255 -0.128120 2.287205
H -6.034117 -0.479668 -1.758732
H -5.387880 1.152339 -1.556024
H -5.820511 2.392698 0.768965
H -6.722646 1.523356 2.016237
H -6.910061 -0.490412 0.570540
H -7.517502 0.924768 -0.297159
H -0.035883 -1.081403 1.693553
H 0.261966 -1.872715 0.125781
H 4.724827 2.130768 0.458689
H 4.609940 0.732217 1.618009
H 4.835087 -0.884184 -0.352821
H 4.947687 0.494149 -1.468042
H 7.387818 -0.562225 -2.030737
H 7.130843 1.207105 -2.027952
H 8.516863 0.516668 -1.168408
H 7.127502 -1.773659 0.316330
H 8.189127 -0.535429 1.042381
H 6.547093 -0.770356 1.670164


%chk=000212341-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212341

0 1
O -1.012748 0.497341 -1.211960
O 0.853350 1.869033 -1.474084
O 2.878403 0.983818 0.263337
O 2.594930 -1.215880 1.038916
N 0.890171 -0.129618 -0.118989
N 6.624302 0.485234 0.118166
C -3.509689 0.568079 0.470320
C -4.391835 -0.425841 -0.335991
C -1.406132 -0.672590 -0.322759
C -2.178444 -0.099817 0.883020
C -3.619594 -0.965635 -1.563783
C -2.274607 -1.615656 -1.167799
C -4.271463 1.115790 1.700682
C -5.729633 0.237236 -0.743234
C -5.611157 1.772638 1.293677
C -6.492435 0.793068 0.482196
C -0.031209 -1.272421 0.073025
C 0.326994 0.868371 -0.974780
C 2.179967 -0.193093 0.433954
C 4.292060 0.981284 0.748848
C 5.233712 0.529923 -0.383633
C 7.637406 0.850898 -0.890581
C 6.952479 -0.776926 0.812675
H -3.269181 1.421216 -0.199779
H -4.625516 -1.284962 0.336283
H -1.534592 0.620833 1.425588
H -2.389908 -0.938115 1.580377
H -3.420654 -0.130264 -2.263523
H -4.240314 -1.704261 -2.107505
H -2.459256 -2.531155 -0.568065
H -1.708610 -1.920943 -2.068042
H -3.636571 1.845699 2.241809
H -4.472734 0.281277 2.406739
H -6.359835 -0.493145 -1.289306
H -5.516994 1.067006 -1.450068
H -5.403031 2.671275 0.676977
H -6.154265 2.120414 2.193735
H -6.797852 -0.050631 1.136022
H -7.422802 1.297060 0.155937
H -0.002752 -1.617726 1.118251
H 0.258558 -2.114661 -0.582650
H 4.486089 2.026606 1.028482
H 4.369363 0.322997 1.630652
H 4.889863 -0.454839 -0.782808
H 5.166333 1.260230 -1.209111
H 7.715507 0.118597 -1.733535
H 7.402588 1.842046 -1.316547
H 8.629703 0.915828 -0.408142
H 7.003750 -1.654042 0.119405
H 7.929784 -0.679851 1.318576
H 6.193300 -1.001322 1.581227


