%chk=000242583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242583

0 1
O -0.882203 -0.358763 1.939807
O -4.307149 -0.614779 -1.519458
O -1.013749 2.607501 -1.776890
O 0.785756 2.761806 -0.018351
O 2.107174 -0.540510 2.754190
N 3.618994 -0.991847 -2.013930
C -0.868020 1.121317 0.140719
C 1.042867 1.380452 1.864868
C 0.325449 1.796234 0.604898
C -1.502046 0.020853 0.784960
C -1.489943 1.576476 -1.073455
C -2.645119 -0.603267 0.289676
C -3.197699 -0.111307 -0.911331
C -2.638115 0.970477 -1.599121
C 1.891436 0.130781 1.770506
C 2.478274 -0.231169 0.436747
C 2.523814 -1.581847 0.067375
C 3.010758 0.735634 -0.421705
C -1.380490 -1.503665 2.682447
C 3.097769 -1.919064 -1.169575
C 3.574508 0.311451 -1.638201
C -4.988051 -1.743199 -0.910619
H 0.305359 1.246949 2.697456
H 1.698293 2.218512 2.206964
H -3.100234 -1.435068 0.806575
H -3.078690 1.339564 -2.523647
H 2.133058 -2.351564 0.732018
H 2.983502 1.798270 -0.168947
H -0.151753 3.043949 -1.351043
H -1.378691 -2.397555 2.053089
H -2.371203 -1.281821 3.087690
H -0.626465 -1.582422 3.481521
H 3.152545 -2.961348 -1.505880
H 4.004882 1.032669 -2.344307
H -4.323238 -2.610619 -0.872618
H -5.812723 -1.909260 -1.617988
H -5.367756 -1.467622 0.077161


%chk=000242583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242583

0 1
O -1.063186 -0.534255 1.785264
O -4.877282 -0.322833 -1.323280
O -1.222477 2.642481 -1.875334
O 0.715384 2.593649 -0.345157
O 1.698036 -0.990986 2.411351
N 4.785161 -0.823903 -1.619511
C -1.079817 1.062949 0.006357
C 1.038166 1.210180 1.597606
C 0.212030 1.626966 0.375974
C -1.748702 -0.012613 0.697193
C -1.775769 1.622418 -1.150856
C -3.003364 -0.500482 0.292023
C -3.635919 0.086652 -0.841820
C -3.031209 1.135207 -1.558585
C 1.832599 -0.113439 1.514157
C 2.829049 -0.322083 0.402271
C 3.434091 -1.600582 0.267269
C 3.226867 0.702510 -0.496102
C -1.582391 -1.709501 2.491138
C 4.390684 -1.803814 -0.747089
C 4.201119 0.402777 -1.476779
C -5.576928 -1.410408 -0.629104
H 0.393260 1.119381 2.483964
H 1.764164 2.031538 1.751232
H -3.480135 -1.312775 0.842755
H -3.525844 1.572534 -2.427243
H 3.154139 -2.403401 0.955748
H 2.795201 1.706503 -0.448178
H -0.300041 2.860421 -1.426807
H -1.730916 -2.555353 1.793798
H -2.529308 -1.473334 3.012783
H -0.793733 -1.954768 3.216075
H 4.872216 -2.778848 -0.879904
H 4.532666 1.171625 -2.183202
H -4.989313 -2.347544 -0.658226
H -6.514496 -1.544082 -1.187134
H -5.802898 -1.136592 0.418956


