%chk=000257125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257125

0 1
O 0.709878 -0.582394 -2.541387
O 0.537403 1.216848 1.917042
O 1.501586 4.236821 -0.739354
N 1.607414 -1.656126 -0.779329
N 1.556246 -0.767523 1.470758
N 2.464929 -2.904057 1.087135
C 0.458594 0.580978 -0.409666
C -1.082446 0.672158 -0.490678
C -1.784627 -0.626234 -0.077899
C 1.146973 1.853905 -0.945042
C -3.321727 -0.460261 -0.058001
C 0.897592 -0.546508 -1.347651
C 0.840036 0.393045 1.090207
C 0.726275 3.145586 -0.231341
C -3.770405 0.408230 1.122666
C -3.994030 -1.838146 0.005271
C 1.879131 -1.725458 0.617534
H -1.422751 1.502369 0.167327
H -1.379371 0.952895 -1.521784
H -1.516655 -1.442647 -0.775926
H -1.440307 -0.954332 0.922853
H 0.942831 1.950093 -2.033267
H 2.250324 1.753100 -0.859655
H -3.638407 0.039714 -1.007423
H -0.347914 3.364806 -0.349791
H 0.985311 3.136303 0.850253
H -3.300287 1.397732 1.099412
H -3.508328 -0.048023 2.084577
H -4.855050 0.558361 1.118227
H -3.699675 -2.392228 0.903442
H -5.085544 -1.744125 0.027700
H -3.737699 -2.453486 -0.863211
H 1.847523 -2.429966 -1.407859
H 1.269540 4.426370 -1.668805
H 2.737427 -2.911373 2.069553
H 3.066210 -3.440825 0.480812


%chk=000257125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257125

0 1
O 0.217264 -1.023184 -2.363607
O 0.142544 0.605036 2.144609
O 1.818809 3.935133 -0.544110
N 1.821985 -1.611391 -0.808994
N 1.928152 -0.700530 1.429394
N 3.534103 -2.220508 0.701135
C 0.330464 0.319840 -0.284043
C -1.198875 0.574749 -0.378398
C -2.065826 -0.639158 0.025308
C 1.150090 1.571500 -0.808713
C -3.589680 -0.406696 -0.162101
C 0.735975 -0.814695 -1.236387
C 0.768731 0.063289 1.194586
C 0.956277 2.871884 0.000436
C -4.124046 0.731569 0.741131
C -4.364185 -1.718677 0.108632
C 2.405516 -1.473342 0.464369
H -1.433296 1.423861 0.284665
H -1.434354 0.867176 -1.420149
H -1.773808 -1.518126 -0.584172
H -1.872991 -0.890275 1.087678
H 0.840804 1.740569 -1.860617
H 2.233809 1.343955 -0.814347
H -3.761373 -0.119105 -1.222132
H -0.104393 3.190689 0.007247
H 1.288165 2.750566 1.042199
H -3.661812 1.706031 0.501117
H -3.914255 0.512792 1.805829
H -5.218323 0.843816 0.625234
H -4.220599 -2.046530 1.156484
H -5.449515 -1.584267 -0.056527
H -4.016957 -2.534754 -0.552710
H 2.129082 -2.335579 -1.465963
H 1.503025 4.173869 -1.452577
H 3.936053 -2.151153 1.634568
H 4.003441 -2.772749 -0.012373


