%chk=000259684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259684

0 1
O 3.790494 -0.644526 -0.655978
O 3.028982 0.554332 1.110073
O 1.102772 3.301437 0.103336
O 2.105000 1.823891 -1.114368
N 1.201334 2.187767 -0.381374
C -0.917460 -0.998585 -0.205121
C 0.263802 -0.206147 -0.157287
C -2.231649 -0.388752 -0.036684
C -2.330509 1.009731 0.145652
C 0.087400 1.236650 -0.121152
C 1.518079 -0.883176 -0.139101
C -1.139329 1.810491 0.069221
C -0.810382 -2.402859 -0.393346
C -3.428216 -1.157099 -0.023215
C -3.598887 1.615809 0.362383
C 1.592164 -2.256514 -0.334092
C 0.419097 -3.021428 -0.486339
C -4.653180 -0.554377 0.182223
C -4.742153 0.844523 0.382381
C 2.802362 -0.198369 0.191253
C 5.096602 -0.022073 -0.496476
H -1.240520 2.903350 0.140050
H -1.725538 -2.998225 -0.464607
H -3.369863 -2.237195 -0.173344
H -3.653191 2.694883 0.512554
H 2.568388 -2.751702 -0.362460
H 0.494888 -4.095218 -0.657234
H -5.566363 -1.150984 0.194401
H -5.718237 1.299156 0.549714
H 5.723070 -0.608619 -1.175163
H 5.424775 -0.097088 0.544866
H 5.024269 1.026615 -0.807962


%chk=000259684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259684

0 1
O 3.896998 -0.671668 -0.606049
O 2.902785 0.690766 0.999269
O 1.124967 3.356788 -0.063848
O 2.007797 1.789731 -1.459936
N 1.150241 2.173221 -0.570724
C -0.943661 -1.031562 -0.232560
C 0.256462 -0.223349 -0.237697
C -2.258696 -0.414552 -0.018005
C -2.342327 1.010503 0.175959
C 0.075078 1.219616 -0.190296
C 1.535754 -0.883687 -0.276046
C -1.154768 1.805446 0.048734
C -0.818316 -2.442146 -0.422183
C -3.474338 -1.162204 0.035908
C -3.603807 1.635158 0.425424
C 1.609407 -2.271059 -0.488971
C 0.429436 -3.048957 -0.591474
C -4.703834 -0.535183 0.285299
C -4.774697 0.873437 0.486048
C 2.802644 -0.176840 0.097430
C 5.195568 -0.033678 -0.277265
H -1.220931 2.897133 0.089044
H -1.713042 -3.069430 -0.436617
H -3.464533 -2.245686 -0.109731
H -3.637026 2.721331 0.565869
H 2.593856 -2.743431 -0.541829
H 0.499977 -4.128140 -0.759468
H -5.619018 -1.135565 0.327378
H -5.739803 1.351916 0.681051
H 5.917535 -0.505274 -0.958190
H 5.457924 -0.219667 0.777940
H 5.130370 1.052732 -0.451659


