%chk=000232912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232912

0 1
O -5.336180 -0.297586 -1.031195
O -5.143976 0.006415 1.202542
O 3.764723 1.942658 -0.189264
O 3.122157 -2.503775 -0.417755
N 3.303778 -0.314022 -0.211396
N 3.831278 -1.551255 -0.431762
C -2.305036 0.604349 0.737343
C -0.839505 0.372420 0.493250
C -3.149463 -0.253834 -0.212118
C -0.147108 -0.601825 1.228667
C -0.156624 1.124563 -0.475130
C 1.882308 -0.066819 0.031865
C 1.212320 -0.824006 1.005819
C 1.201297 0.908655 -0.712501
C -4.608644 -0.156104 0.132724
C 4.227995 0.830616 -0.232455
C 5.681352 0.505659 -0.304105
C -6.783129 -0.278951 -0.909848
H -2.558981 1.677936 0.610035
H -2.574192 0.373810 1.792821
H -2.975615 0.038457 -1.271338
H -2.839527 -1.321978 -0.153573
H -0.670311 -1.190496 1.982145
H -0.685642 1.886485 -1.047068
H 1.741735 -1.585407 1.578543
H 1.731481 1.509197 -1.453569
H 6.284441 1.428694 -0.305576
H 5.940724 -0.062645 -1.212933
H 6.015545 -0.108281 0.548006
H -7.112443 -1.228276 -0.477232
H -7.111691 -0.166284 -1.948205
H -7.100968 0.562930 -0.285434


%chk=000232912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232912

0 1
O -5.400582 -0.511177 -1.067492
O -5.196183 0.339608 1.091309
O 3.992909 1.952345 0.248731
O 3.000467 -2.462127 -0.664476
N 3.333480 -0.251539 -0.159866
N 3.861373 -1.542519 -0.557252
C -2.328159 0.677972 0.730241
C -0.839112 0.458260 0.519654
C -3.172185 -0.189689 -0.239175
C -0.150854 -0.566593 1.218686
C -0.108538 1.248664 -0.404692
C 1.928632 -0.002965 0.076221
C 1.222059 -0.802555 1.005335
C 1.263057 1.023343 -0.634299
C -4.662983 -0.071697 0.035405
C 4.334792 0.787524 -0.066780
C 5.766226 0.380727 -0.363301
C -6.876017 -0.492190 -0.903278
H -2.587204 1.741422 0.575183
H -2.620773 0.430610 1.766168
H -2.977062 0.071438 -1.294306
H -2.892050 -1.256712 -0.133107
H -0.694174 -1.181590 1.945961
H -0.617067 2.055781 -0.945169
H 1.739566 -1.588807 1.562111
H 1.817558 1.648204 -1.339784
H 6.400217 1.270263 -0.232917
H 5.868924 -0.005236 -1.391387
H 6.104140 -0.423235 0.311578
H -7.175260 -1.143470 -0.064931
H -7.268573 -0.867951 -1.858240
H -7.224526 0.535189 -0.704829


