%chk=000227952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227952

0 1
O 4.649013 2.631583 -0.543505
O 3.826372 1.920956 1.415697
O 6.294851 -1.436896 -0.664409
N 4.464602 -0.746867 0.503314
C -0.935707 0.050190 0.063431
C -2.274379 0.042509 -0.686892
C 0.250721 0.089775 -0.909202
C -3.461155 0.004537 0.285417
C 1.588187 0.099503 -0.156566
C -4.800149 -0.003889 -0.464427
C 2.770028 0.126411 -1.132165
C -5.987152 -0.041584 0.507643
C -7.325913 -0.050277 -0.242177
C 4.142722 0.317718 -0.460971
C -8.514342 -0.087859 0.729012
C 4.165440 1.653878 0.288430
C -9.849588 -0.096671 -0.012020
C 5.584010 -1.575860 0.313904
C 5.794041 -2.600569 1.388960
H -0.863359 -0.844089 0.711977
H -0.892520 0.921218 0.746204
H -2.348357 0.937225 -1.334924
H -2.319456 -0.828134 -1.369273
H 0.174351 0.985171 -1.556563
H 0.206518 -0.780837 -1.591997
H -3.417522 0.875983 0.967027
H -3.388157 -0.889234 0.934588
H 1.628977 0.973667 0.525503
H 1.654167 -0.792213 0.496293
H -4.874064 0.890154 -1.113239
H -4.844760 -0.875023 -1.146151
H 2.794710 -0.817541 -1.716543
H 2.629538 0.935436 -1.879952
H -5.943277 0.829947 1.188970
H -5.913749 -0.935296 1.156838
H 4.945459 0.337149 -1.265136
H -7.401150 0.842959 -0.891619
H -7.371699 -0.921094 -0.923957
H -8.441624 -0.982273 1.378231
H -8.471148 0.784341 1.410346
H 3.852901 -0.832118 1.310322
H -9.970687 0.795934 -0.636235
H -9.941366 -0.969596 -0.668209
H -10.691320 -0.123287 0.688915
H 4.682817 3.528435 -0.113204
H 4.954997 -3.304383 1.469381
H 6.694703 -3.197838 1.165135
H 5.949872 -2.146051 2.377198


%chk=000227952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227952

0 1
O 4.447710 2.839262 -0.513571
O 4.606789 1.885185 1.596723
O 5.054544 -2.198482 -1.081458
N 4.574062 -0.648729 0.575145
C -0.829629 0.282756 0.060399
C -2.176600 0.085929 -0.670805
C 0.393384 0.220410 -0.882211
C -3.397836 0.139366 0.274763
C 1.737311 0.414704 -0.144386
C -4.746451 -0.061074 -0.452599
C 2.946274 0.333837 -1.098657
C -5.965900 -0.011431 0.495713
C -7.315714 -0.216413 -0.228284
C 4.334490 0.433235 -0.387746
C -8.533561 -0.167308 0.722843
C 4.483889 1.753063 0.356283
C -9.878389 -0.376251 -0.006465
C 4.942051 -1.913840 0.152247
C 5.198072 -2.933260 1.257634
H -0.723900 -0.492649 0.847860
H -0.838166 1.260197 0.586981
H -2.285930 0.863935 -1.455236
H -2.166423 -0.889469 -1.200941
H 0.289632 0.995169 -1.670391
H 0.403024 -0.757443 -1.407078
H -3.408963 1.115265 0.804268
H -3.286601 -0.637757 1.059921
H 1.725561 1.395062 0.376602
H 1.836738 -0.359570 0.642857
H -4.859971 0.716921 -1.236507
H -4.734894 -1.036214 -0.983337
H 2.944861 -0.629322 -1.641250
H 2.893756 1.141084 -1.853263
H -5.978909 0.964735 1.024787
H -5.850326 -0.787780 1.281092
H 5.107252 0.378662 -1.179543
H -7.434031 0.559703 -1.013437
H -7.304593 -1.192697 -0.757066
H -8.412551 -0.941305 1.508285
H -8.544653 0.809207 1.249157
H 4.548085 -0.400857 1.568229
H -10.035657 0.401588 -0.777601
H -9.905696 -1.359478 -0.513328
H -10.732049 -0.334078 0.695006
H 4.533399 3.684970 0.004494
H 4.489362 -3.772398 1.147320
H 6.213794 -3.346863 1.136102
H 5.099749 -2.514380 2.273851


