%chk=000257343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257343

0 1
O -0.045185 -0.465395 -1.236222
O -3.965081 -1.801815 -1.338374
O -3.531405 0.368015 -0.996260
O 2.505212 -0.148068 1.752947
O 2.799135 -0.593679 -2.232783
N -1.281812 -0.337624 0.648679
N 1.983002 1.038138 -0.139452
N 4.947266 -1.099649 0.737146
C -2.225232 -1.390231 0.206423
C -2.899162 -1.890252 1.499289
C -1.605927 0.150731 2.020667
C -2.754926 -0.746162 2.520077
C 0.596847 1.309962 0.298379
C -0.259606 0.114484 -0.174849
C 0.076620 2.631938 -0.339682
C -3.265307 -0.779220 -0.740547
C 0.851673 3.820547 0.234968
C -1.424929 2.798126 -0.105464
C 2.770251 0.142814 0.597248
C 3.996995 -0.400442 -0.153949
C 3.547481 -1.377125 -1.290665
C 2.741869 -2.568552 -0.802861
H -1.678635 -2.202059 -0.347571
H -3.954966 -2.170472 1.335521
H -2.390756 -2.805217 1.858982
H -0.704568 0.062027 2.667071
H -1.906106 1.223548 1.983608
H -2.546181 -1.138326 3.530622
H -3.695186 -0.169703 2.596234
H 0.593449 1.393911 1.419432
H 0.256875 2.583777 -1.445148
H 2.148274 1.117113 -1.156847
H 0.666884 3.953402 1.306584
H 1.934652 3.698502 0.105430
H 0.566734 4.754230 -0.263646
H -2.022475 2.053834 -0.659127
H -1.769514 3.781067 -0.449598
H -1.698476 2.712908 0.953190
H 4.537364 0.454328 -0.648716
H 4.451327 -1.687969 -1.867988
H -4.644322 -1.477746 -1.989168
H 5.379831 -0.438398 1.379242
H 4.457255 -1.783618 1.314538
H 1.837356 -2.270989 -0.255774
H 3.332810 -3.212568 -0.139063
H 2.416302 -3.191820 -1.647283
H 1.816291 -0.744203 -2.141841


%chk=000257343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257343

0 1
O -0.099233 -0.243453 -1.337727
O -3.791943 -2.104067 -1.308604
O -3.672009 0.161658 -0.804443
O 2.051323 -0.452856 1.787591
O 2.634666 -0.368454 -2.196050
N -1.262605 -0.281573 0.656731
N 1.944038 1.117086 0.061720
N 4.581289 -1.381384 0.908962
C -2.059288 -1.444636 0.218713
C -2.546051 -2.071132 1.557438
C -1.505258 0.073581 2.086498
C -2.685695 -0.843012 2.492484
C 0.531808 1.450271 0.326062
C -0.312881 0.249683 -0.169951
C 0.123183 2.756803 -0.418327
C -3.229063 -0.996842 -0.666652
C 1.000211 3.944254 0.041417
C -1.378052 3.071948 -0.215425
C 2.543997 0.067776 0.731104
C 3.799245 -0.499468 0.033165
C 3.357698 -1.270151 -1.280285
C 2.570193 -2.556776 -0.990863
H -1.439926 -2.135093 -0.377693
H -3.479986 -2.642562 1.436790
H -1.764885 -2.756890 1.930047
H -0.588755 -0.137288 2.669687
H -1.763851 1.140751 2.190459
H -2.640502 -1.116685 3.559240
H -3.645418 -0.328562 2.308388
H 0.413221 1.587020 1.414212
H 0.294336 2.577781 -1.500936
H 2.288114 1.270650 -0.898377
H 0.829547 4.164534 1.112671
H 2.076693 3.740526 -0.093121
H 0.745993 4.852442 -0.534913
H -2.035251 2.250122 -0.550483
H -1.652639 3.976827 -0.786868
H -1.595178 3.279111 0.851198
H 4.433266 0.338690 -0.312736
H 4.299191 -1.523048 -1.797915
H -4.549673 -1.808316 -1.882488
H 5.371091 -0.911869 1.362045
H 3.976240 -1.836819 1.605784
H 1.615427 -2.342603 -0.476077
H 3.172290 -3.229259 -0.356473
H 2.344957 -3.077366 -1.938166
H 1.642123 -0.439250 -2.044434


