%chk=000240472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240472

0 1
O -0.333965 -0.123948 -0.673198
O -3.088316 -0.743866 -1.394918
O -4.952999 -0.901795 0.889595
O 0.621534 1.003088 3.066901
O 5.282102 -1.116950 -1.829690
O 5.120951 0.972458 -2.362109
N 4.771909 -0.012084 -1.730025
C -0.983478 0.214353 1.533296
C -1.361855 -0.138509 0.216029
C -2.710676 -0.455103 -0.085931
C 0.380280 0.584584 1.951772
C 1.513448 0.422183 0.966382
C -1.978376 0.217089 2.541201
C -3.652535 -0.519571 0.962505
C -3.280332 -0.158726 2.282194
C 2.148324 -0.821952 0.843798
C 1.952785 1.530405 0.229454
C 3.644589 0.141464 -0.785045
C 3.220185 -0.967691 -0.036446
C 3.023350 1.393095 -0.654619
C -0.485811 -0.747704 -1.980126
C -3.524266 0.443397 -2.122148
C -5.465726 -1.490267 -0.337739
H -1.679696 0.514847 3.556241
H -4.035031 -0.189834 3.066990
H 1.805175 -1.673386 1.433491
H 1.460316 2.497053 0.346076
H 3.732007 -1.929439 -0.148445
H 3.383144 2.244840 -1.241598
H 0.559048 -0.952767 -2.245984
H -1.080144 -1.665649 -1.918448
H -0.943585 -0.025083 -2.660157
H -2.709951 1.170491 -2.183004
H -4.399794 0.883433 -1.637091
H -3.772792 0.033265 -3.106403
H -4.735348 -2.172240 -0.787926
H -6.352477 -2.024290 0.025844
H -5.732594 -0.685689 -1.027818


%chk=000240472-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240472

0 1
O -0.822163 0.572446 -1.145065
O -3.437382 -0.587822 -1.447972
O -4.896944 -1.281288 1.013886
O 0.388246 2.096659 2.349087
O 5.224445 -1.775329 -1.502341
O 6.010055 0.364876 -1.428212
N 5.105667 -0.526194 -1.193348
C -1.067610 0.527297 1.259246
C -1.569450 0.168285 -0.024072
C -2.871137 -0.395649 -0.159185
C 0.255432 1.189710 1.467971
C 1.473737 0.734155 0.705352
C -1.897141 0.318840 2.396228
C -3.633692 -0.697712 1.007042
C -3.139339 -0.315681 2.283824
C 1.661699 -0.628959 0.355762
C 2.505500 1.673731 0.445014
C 3.851335 -0.088987 -0.530900
C 2.855393 -1.052394 -0.257652
C 3.695355 1.273342 -0.187517
C -0.582389 -0.412553 -2.228152
C -3.935552 0.678735 -2.046268
C -5.314824 -2.193206 -0.072794
H -1.522262 0.642284 3.372085
H -3.759579 -0.528189 3.158711
H 0.880757 -1.359634 0.591379
H 2.356550 2.713315 0.751849
H 3.033089 -2.097921 -0.522504
H 4.498405 1.979819 -0.412461
H -0.084554 0.161915 -3.023163
H 0.093975 -1.207553 -1.864944
H -1.529388 -0.850138 -2.583325
H -3.109031 1.403848 -2.157558
H -4.734244 1.112401 -1.416079
H -4.337135 0.402226 -3.033134
H -4.487359 -2.862709 -0.364929
H -6.144273 -2.771013 0.363635
H -5.654791 -1.631450 -0.956596


