%chk=000289216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289216

0 1
O 4.139898 1.608541 0.651401
N -1.552010 -1.185146 0.410369
N 0.257087 -3.996328 -0.162161
C -0.462963 -1.485992 -0.576236
C 0.772074 -0.633257 -0.304588
C -0.980320 -1.389926 -2.022492
C -2.308776 0.021103 0.322610
C 1.079310 -0.255845 1.020748
C 1.634311 -0.258599 -1.340280
C -0.065477 -2.902589 -0.333992
C 2.211497 0.494595 1.300837
C 2.783235 0.497320 -1.085702
C 3.059837 0.868094 0.235440
C -3.624015 0.003384 0.843421
C -1.769106 1.224700 -0.169938
C -4.369136 1.180542 0.876478
C -2.535999 2.390027 -0.130243
C -3.834426 2.377390 0.387426
C 5.097517 2.036074 -0.348032
H -2.125231 -2.009226 0.624248
H -1.225595 -0.352278 -2.288861
H -1.893349 -1.980667 -2.168320
H -0.244831 -1.753383 -2.750444
H 0.412951 -0.553857 1.836504
H 1.425802 -0.554784 -2.369660
H 2.460574 0.797725 2.315853
H 3.437121 0.777257 -1.903931
H -4.053136 -0.916810 1.230062
H -0.753504 1.263339 -0.558141
H -5.379518 1.165557 1.285126
H -2.112455 3.321383 -0.506562
H -4.422775 3.290068 0.413296
H 4.618820 2.699271 -1.073825
H 5.559953 1.168342 -0.827038
H 5.827935 2.583176 0.263028


%chk=000289216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289216

0 1
O 4.188056 1.619740 0.731661
N -1.622840 -1.187342 0.257818
N 0.199853 -4.051279 -0.114076
C -0.488873 -1.508115 -0.648305
C 0.760392 -0.631585 -0.345809
C -0.927791 -1.470045 -2.148455
C -2.342178 0.024928 0.283395
C 1.037657 -0.265237 0.998037
C 1.665644 -0.233679 -1.353937
C -0.112296 -2.921450 -0.337140
C 2.178908 0.482781 1.322851
C 2.820248 0.521945 -1.044660
C 3.079545 0.879143 0.300829
C -3.594488 0.045614 0.966548
C -1.873037 1.232267 -0.310410
C -4.348368 1.231436 1.054451
C -2.642627 2.411943 -0.217632
C -3.882440 2.428598 0.459878
C 5.158859 2.040397 -0.282270
H -2.094055 -1.994658 0.668928
H -1.186620 -0.439826 -2.441392
H -1.818403 -2.106687 -2.278943
H -0.134534 -1.849168 -2.813328
H 0.334030 -0.559412 1.783397
H 1.489230 -0.502626 -2.399900
H 2.394812 0.774270 2.354931
H 3.499648 0.816146 -1.849925
H -3.971144 -0.876108 1.429485
H -0.903388 1.263309 -0.813781
H -5.306447 1.218597 1.586731
H -2.259553 3.330221 -0.677892
H -4.470399 3.349635 0.526393
H 4.692756 2.707486 -1.033375
H 5.612657 1.167522 -0.790432
H 5.932485 2.590443 0.272732


