%chk=000262266.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262266

0 1
O -0.760994 0.214066 0.048243
O 1.272591 -2.362512 2.280488
O -0.635268 -1.547244 1.669087
O 5.387420 1.261399 -0.598659
O 5.415254 -0.386173 0.806422
N 0.581354 -1.576094 1.655290
N 4.841471 0.421213 0.097611
C 0.575059 0.339994 0.007414
C -1.590978 1.133905 -0.757910
C -3.002676 0.653436 -0.566387
C 1.285074 -0.586445 0.826903
C 1.286289 1.290028 -0.766828
C 2.687035 -0.557230 0.850227
C 3.370396 0.384209 0.076550
C 2.667394 1.310274 -0.732065
C -3.997632 1.165689 -1.414681
C -3.333505 -0.267929 0.433806
C -5.321953 0.753852 -1.252416
C -4.661630 -0.678694 0.585674
C -5.655802 -0.168363 -0.253416
H -1.264527 1.064229 -1.811257
H -1.443794 2.152978 -0.354304
H 0.752311 2.005031 -1.390423
H 3.241808 -1.277471 1.480165
H 3.239085 2.038185 -1.325736
H -3.746368 1.879921 -2.195561
H -2.551762 -0.673214 1.088257
H -6.096987 1.150499 -1.906832
H -4.917013 -1.399784 1.362288
H -6.689650 -0.488257 -0.131849


%chk=000262266-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262266

0 1
O -0.751315 0.032302 -0.117164
O 1.407650 -2.844337 1.705948
O -0.432539 -1.543793 2.058224
O 5.450265 1.531707 -0.435721
O 5.521358 -0.301578 0.925537
N 0.728279 -1.757565 1.543721
N 4.885737 0.566578 0.212744
C 0.600885 0.240342 -0.035329
C -1.606079 1.012277 -0.834148
C -3.050186 0.607198 -0.614656
C 1.369310 -0.677757 0.752273
C 1.293679 1.277522 -0.722556
C 2.768585 -0.589964 0.819231
C 3.414527 0.453048 0.130522
C 2.688375 1.391188 -0.636988
C -4.029270 1.017469 -1.552572
C -3.438344 -0.130418 0.530577
C -5.391139 0.708023 -1.340588
C -4.800434 -0.446733 0.732811
C -5.780001 -0.025192 -0.195726
H -1.345504 1.011254 -1.910936
H -1.400439 2.018282 -0.412696
H 0.738714 1.991069 -1.335936
H 3.342368 -1.315383 1.401795
H 3.229420 2.185427 -1.158014
H -3.733603 1.576141 -2.450036
H -2.675345 -0.469930 1.237774
H -6.142884 1.029251 -2.069797
H -5.095049 -1.025100 1.615266
H -6.835018 -0.271830 -0.033458


