%chk=000281598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281598

0 1
O -3.123326 1.845899 -2.166545
O -1.114465 1.091401 2.147384
O 1.671075 0.086759 2.336109
O 0.943530 -1.153396 0.597389
N -0.901906 1.932668 -1.829779
N 0.092402 1.717020 0.355532
N 1.466597 2.189442 -1.516675
N 3.535182 -2.381948 0.440967
C -2.439547 1.446421 0.143604
C -3.107160 0.055159 0.246593
C -2.260044 -1.064702 -0.366316
C -3.351869 2.578316 0.686515
C -2.920234 -2.448203 -0.172143
C -2.242321 1.745816 -1.345002
C -1.136580 1.406474 0.972698
C -3.834965 2.357432 2.113223
C -2.237078 -3.481212 -1.079270
C -2.847498 -2.895118 1.293046
C 0.221925 1.912301 -0.952037
C 2.698901 1.943293 -0.715785
C 3.271267 0.532677 -0.937353
C 4.051825 0.038925 0.288885
C 3.345600 -1.068819 1.099725
C 1.856078 -0.728865 1.277304
H -4.103837 0.092583 -0.237385
H -3.291965 -0.165255 1.321461
H -2.106375 -0.882728 -1.446209
H -1.241430 -1.081908 0.084944
H -2.803300 3.540861 0.626076
H -4.230264 2.681233 0.011725
H -3.995981 -2.377555 -0.469553
H -4.567799 1.545083 2.179370
H -4.310413 3.261529 2.511052
H -3.006163 2.097701 2.792652
H -0.795348 2.123327 -2.831310
H -2.342415 -3.220933 -2.136963
H -2.669231 -4.477683 -0.940781
H -1.165275 -3.557000 -0.861195
H -3.343252 -2.179596 1.957795
H -3.323917 -3.869363 1.438600
H -1.808096 -2.981681 1.632951
H 1.575098 2.106831 -2.525624
H 3.436436 2.724029 -1.007005
H 2.471277 2.108291 0.370290
H 3.931175 0.524684 -1.825613
H 2.453211 -0.179121 -1.180604
H 4.281433 0.880744 0.973647
H 5.040343 -0.356507 -0.033778
H 3.819519 -1.121988 2.120652
H 3.100672 -2.395698 -0.479631
H 3.104380 -3.127317 0.983628
H 0.707129 0.445897 2.415840


%chk=000281598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281598

0 1
O -3.221058 1.888005 -2.133856
O -0.893459 0.870227 2.012702
O 1.501068 -0.061454 2.517508
O 0.976523 -1.588527 0.842032
N -0.931522 2.029467 -1.906238
N 0.237515 1.645418 0.166645
N 1.430388 2.164413 -1.763712
N 3.731948 -2.246386 0.513809
C -2.318406 1.433085 0.116642
C -3.062867 0.060432 0.243454
C -2.341805 -1.095816 -0.486845
C -3.155339 2.607275 0.771826
C -2.993817 -2.486250 -0.251237
C -2.220785 1.789348 -1.377824
C -0.942214 1.312313 0.810757
C -3.587552 2.390403 2.234881
C -2.376471 -3.527922 -1.215039
C -2.829938 -2.953674 1.216486
C 0.237443 1.943039 -1.133866
C 2.711094 1.990137 -1.030301
C 3.064731 0.494147 -0.780801
C 3.778649 0.265354 0.582563
C 3.346279 -1.058221 1.294425
C 1.821824 -0.962731 1.544560
H -4.086881 0.187566 -0.156989
H -3.132638 -0.162260 1.320943
H -2.338276 -0.891361 -1.578220
H -1.285031 -1.156367 -0.155379
H -2.562704 3.541940 0.697952
H -4.046900 2.740671 0.130186
H -4.079589 -2.404343 -0.477207
H -4.298620 1.551669 2.329772
H -4.095141 3.301226 2.602816
H -2.725266 2.180228 2.888535
H -0.902990 2.258279 -2.905603
H -2.517235 -3.233093 -2.272357
H -2.835974 -4.524240 -1.074888
H -1.289766 -3.625571 -1.028374
H -3.329259 -2.273678 1.930409
H -3.262754 -3.961732 1.358366
H -1.757377 -2.995364 1.484573
H 1.451781 2.349237 -2.767464
H 3.492665 2.513692 -1.608931
H 2.595761 2.499983 -0.059448
H 3.676940 0.097485 -1.611358
H 2.114742 -0.069853 -0.787224
H 3.542736 1.098264 1.271058
H 4.874495 0.222063 0.453015
H 3.858247 -1.083224 2.272738
H 3.040812 -2.448281 -0.221044
H 3.870220 -3.077967 1.098845
H 0.518775 0.279148 2.439810


