%chk=000228935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228935

0 1
O -0.361094 0.059449 1.211650
O -0.864160 1.204016 -0.725766
O 3.151290 -0.449796 0.600661
O 3.266737 0.357215 -1.549537
N 5.093901 0.448967 -0.107832
C -1.403099 0.241994 0.209801
C -1.650249 -1.069491 -0.540264
C -2.583454 0.875664 0.943904
C 0.909021 0.501878 0.696607
C 0.564083 1.334693 -0.550886
C -2.038874 -2.212152 0.402958
C -3.738403 1.222852 -0.001520
C 1.740610 -0.758513 0.416082
C -2.129797 -3.545917 -0.332878
C -4.857998 1.959570 0.728325
C 3.796815 0.135824 -0.480385
H -0.741225 -1.335402 -1.114798
H -2.434195 -0.907421 -1.306424
H -2.920625 0.196318 1.750708
H -2.224670 1.792540 1.457498
H 1.360767 1.097682 1.519532
H 1.041848 0.976866 -1.483156
H 0.744918 2.414700 -0.426098
H -3.008302 -1.985756 0.889765
H -1.294976 -2.278670 1.224313
H -4.137803 0.301416 -0.468903
H -3.351782 1.848104 -0.834342
H 1.576542 -1.183411 -0.588999
H 1.573898 -1.530190 1.193851
H -2.421008 -4.353488 0.348555
H -1.171610 -3.827583 -0.783785
H -2.872437 -3.513583 -1.138540
H -5.682682 2.197444 0.046718
H -4.506266 2.905360 1.157066
H -5.270775 1.361353 1.548323
H 5.756061 0.714443 -0.822757
H 5.469793 0.122924 0.769654


%chk=000228935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228935

0 1
O -0.302715 -0.285095 1.091843
O -0.805689 1.102472 -0.765427
O 3.394974 0.184499 0.923999
O 3.577134 -0.157082 -1.408448
N 5.233162 0.952482 -0.166823
C -1.405054 0.092853 0.138538
C -1.805107 -1.165496 -0.656318
C -2.522748 0.779889 0.935401
C 0.930188 0.438718 0.688772
C 0.647718 0.837725 -0.776269
C -2.363554 -2.313910 0.214414
C -3.709383 1.267363 0.072775
C 2.095029 -0.532154 0.926155
C -2.600401 -3.600695 -0.604648
C -4.731046 2.072934 0.903748
C 4.037431 0.290571 -0.328224
H -0.909290 -1.522446 -1.201230
H -2.548351 -0.871448 -1.422094
H -2.879387 0.081054 1.715648
H -2.066334 1.641274 1.458631
H 1.053182 1.335590 1.328719
H 0.912052 0.021683 -1.474382
H 1.141721 1.767918 -1.093079
H -3.316079 -1.998608 0.684397
H -1.652128 -2.515055 1.037734
H -4.219630 0.400854 -0.392617
H -3.319388 1.891052 -0.753551
H 2.104882 -1.332588 0.166027
H 2.021373 -0.961174 1.937082
H -3.018194 -4.407338 0.025372
H -1.654743 -3.970573 -1.043842
H -3.307526 -3.420754 -1.436723
H -5.585112 2.400890 0.283192
H -4.263131 2.975964 1.338849
H -5.131993 1.467663 1.739021
H 5.820449 1.103997 -0.981809
H 5.528490 1.266871 0.754266


