%chk=000194404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194404

0 1
O 3.644767 0.970049 0.720725
O 0.301628 -2.725585 0.588415
O 2.990084 -2.962858 0.178609
O -3.907854 -3.107687 0.265933
O 0.428413 0.751047 -1.913905
O -3.077906 -3.059412 -1.813959
N -0.926831 -1.427685 -0.838522
N 2.095633 -0.519007 -1.000364
N 1.515915 3.193501 -1.210378
N -3.052623 4.568209 1.384289
C -2.956519 -0.218932 -0.034673
C -2.167464 -1.540512 -0.051633
C -2.149544 0.922831 0.595238
C 1.465326 -1.805599 -1.349074
C -3.007014 2.185639 0.733658
C 0.243582 -2.042404 -0.426198
C 2.262707 1.957356 -0.889199
C 2.605309 1.974802 0.625260
C 1.497074 0.688678 -1.310213
C 2.487431 -2.951673 -1.152484
C -2.210005 3.335862 1.370937
C -3.043777 -2.626796 -0.691113
C 1.447318 1.639819 1.549784
H -3.264903 0.064216 -1.062806
H -3.899903 -0.378988 0.530653
H -1.918455 -1.868292 1.003398
H -1.762821 0.612718 1.585379
H -1.258355 1.139436 -0.032755
H 1.130615 -1.781636 -2.424356
H -3.380167 2.510118 -0.260851
H -3.912434 1.972540 1.333785
H -0.931493 -0.770325 -1.636955
H 3.245504 1.967945 -1.446667
H 2.925652 -0.564221 -0.376358
H 3.072672 2.954271 0.887195
H 2.025066 -3.927528 -1.392690
H 3.392362 -2.798377 -1.773136
H -1.849804 3.038775 2.379540
H -1.307730 3.557633 0.756828
H 0.595616 2.313126 1.382135
H 1.727125 1.743319 2.605537
H 1.085363 0.611752 1.412809
H 1.518396 3.356804 -2.216491
H 0.536324 3.105134 -0.938889
H -3.892619 4.425636 1.936224
H -2.544890 5.339253 1.807015
H 3.799474 0.703383 1.647593
H 2.243437 -3.168001 0.816732
H -4.504982 -3.825935 -0.076201


%chk=000194404-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194404

0 1
O 3.757642 0.824026 0.630909
O 0.254067 -3.047796 0.432947
O 2.995570 -3.021805 0.098661
O -4.010863 -3.078395 0.348876
O 0.366337 0.775416 -1.989975
O -2.820104 -3.329978 -1.631484
N -0.920400 -1.410407 -0.737973
N 2.015903 -0.513147 -0.975081
N 1.327575 3.109464 -1.044193
N -3.123940 4.634904 1.265645
C -2.992345 -0.261685 0.023518
C -2.159835 -1.575060 0.021885
C -2.249297 0.913909 0.695004
C 1.422833 -1.804201 -1.375908
C -3.079182 2.216434 0.693039
C 0.198667 -2.152606 -0.479385
C 2.214774 1.955601 -0.860229
C 2.713131 1.886777 0.616974
C 1.457198 0.683042 -1.314286
C 2.490458 -2.911789 -1.271375
C -2.298551 3.410356 1.282014
C -2.982845 -2.743207 -0.544624
C 1.610165 1.630249 1.650687
H -3.251984 0.007146 -1.020654
H -3.941547 -0.463369 0.552339
H -1.901728 -1.850638 1.062306
H -1.989804 0.635700 1.737999
H -1.294830 1.101485 0.167213
H 1.069808 -1.709048 -2.421193
H -3.380905 2.479136 -0.339253
H -4.016190 2.064962 1.270666
H -0.834368 -0.657609 -1.443131
H 3.138237 2.007477 -1.483253
H 2.835499 -0.503999 -0.337605
H 3.199212 2.861558 0.828309
H 2.055679 -3.869322 -1.621685
H 3.361325 -2.657239 -1.898110
H -1.929423 3.126567 2.300901
H -1.400995 3.591964 0.658616
H 0.821456 2.391674 1.523685
H 2.005893 1.707468 2.680973
H 1.162431 0.628238 1.523921
H 1.797802 3.971260 -1.328301
H 0.517365 2.870081 -1.630774
H -3.973612 4.569509 1.835833
H -2.606770 5.499858 1.449096
H 4.065790 0.663757 1.556524
H 2.196985 -3.288561 0.642158
H -4.537582 -3.835757 -0.024425


