%chk=000261989.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261989

0 1
O 2.636910 -3.566660 -0.162261
O -5.386512 -1.295631 -0.281934
N -2.824842 -0.318132 -0.073105
N -3.902277 0.544768 -0.121551
N -6.264661 0.816723 -0.068982
C 1.107553 0.798198 1.220326
C -0.192411 1.532220 1.642971
C 0.779235 -0.554511 0.581736
C -1.223940 1.535862 0.515782
C 1.866182 1.688147 0.234075
C -0.518486 -0.870601 0.109255
C 1.949433 0.555578 2.490120
C -1.617567 0.119119 0.175836
C 1.802482 -1.494503 0.451089
C -0.763791 -2.141308 -0.444829
C 1.837025 1.437944 -1.145853
C 2.576524 2.804852 0.705482
C 1.527663 -2.754688 -0.112295
C 0.246133 -3.095278 -0.560778
C 2.514669 2.278731 -2.033937
C 3.252938 3.643676 -0.183250
C 3.225318 3.383142 -1.556839
C 2.478718 -4.894985 -0.718513
C -5.184927 -0.108315 -0.168517
H 0.042903 2.569658 1.946842
H -0.620096 1.038572 2.538771
H -0.802406 2.020711 -0.394056
H -2.094203 2.155625 0.805977
H 1.509633 -0.233268 3.112660
H 2.970808 0.241478 2.240806
H 2.029797 1.456006 3.107618
H 2.820042 -1.275530 0.772398
H -1.773538 -2.391359 -0.795258
H 1.290007 0.580645 -1.541413
H 2.607198 3.023920 1.771468
H 0.026855 -4.067121 -0.988563
H 2.487840 2.068389 -3.102079
H 3.803738 4.502655 0.195894
H 3.753945 4.035160 -2.248381
H -3.841206 1.450698 0.368646
H 2.171780 -4.833632 -1.766494
H 1.771924 -5.475938 -0.118999
H 3.495941 -5.297890 -0.628725
H -7.176996 0.428061 -0.289805
H -6.155233 1.764310 -0.396435


%chk=000261989-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261989

0 1
O 2.682957 -3.885281 -0.041241
O -5.163134 -0.673433 -1.356026
N -2.604263 -0.234641 -0.260974
N -3.616807 0.704602 -0.204146
N -5.729382 1.519251 -0.791945
C 1.277650 0.659492 1.319389
C 0.018479 1.147561 2.104920
C 0.931292 -0.722883 0.728689
C -1.219722 1.280485 1.198706
C 1.635516 1.687606 0.208854
C -0.403182 -0.999549 0.282031
C 2.465903 0.572783 2.321190
C -1.473295 0.018827 0.383053
C 1.914438 -1.723487 0.589442
C -0.693731 -2.271428 -0.281408
C 1.727016 1.330577 -1.159982
C 1.898277 3.040284 0.561673
C 1.607718 -2.985577 0.028814
C 0.290043 -3.266255 -0.414024
C 2.070869 2.288652 -2.142473
C 2.240605 3.999770 -0.415104
C 2.329200 3.627859 -1.777138
C 2.423494 -5.206819 -0.618497
C -4.856042 0.426135 -0.831335
H 0.226221 2.121270 2.585797
H -0.186675 0.420203 2.914306
H -1.081579 2.144183 0.513777
H -2.104958 1.507554 1.831526
H 2.276849 -0.201979 3.086384
H 3.416661 0.339212 1.812360
H 2.603312 1.539445 2.837580
H 2.945688 -1.554254 0.909420
H -1.717705 -2.456209 -0.619963
H 1.529461 0.298157 -1.464236
H 1.843337 3.353166 1.611496
H 0.026617 -4.234203 -0.850085
H 2.134351 1.984604 -3.193581
H 2.441215 5.034671 -0.114262
H 2.596387 4.369704 -2.538059
H -3.488936 1.600048 0.284435
H 2.089630 -5.128031 -1.671374
H 1.666634 -5.761509 -0.030572
H 3.387848 -5.733813 -0.573443
H -6.650069 1.376238 -1.198690
H -5.468087 2.452509 -0.480387


