%chk=000248833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248833

0 1
O -0.338464 -0.971072 -0.613002
O -0.935576 1.682159 0.488753
O -1.062683 -1.411089 1.532237
O -1.665167 1.744263 -1.691852
O 5.253806 0.726285 0.354213
O 4.601843 -1.216841 -0.337218
N -2.168701 -2.306746 -0.331896
N -3.140256 1.229675 0.060167
N 4.389734 -0.075729 0.038702
C 0.640043 -0.093490 -0.151963
C 0.341100 1.225352 0.268151
C 1.962898 -0.530529 -0.223587
C 2.983401 0.369976 0.118219
C 1.376556 2.109782 0.612571
C 2.698719 1.680867 0.539163
C -1.176608 -1.596296 0.342375
C -1.935023 1.573682 -0.530145
C -2.802569 -3.418261 0.421839
C -2.052912 -2.505895 -1.796483
C -4.376410 1.636106 -0.653041
C -3.242081 1.098943 1.532698
H 2.196425 -1.553188 -0.543224
H 1.126069 3.122704 0.934114
H 3.521961 2.356707 0.801826
H -2.289493 -4.382477 0.273838
H -2.809356 -3.192299 1.505836
H -3.850947 -3.518535 0.091861
H -1.736306 -1.555935 -2.276303
H -1.323051 -3.284355 -2.071055
H -3.038902 -2.777223 -2.207937
H -4.774122 2.599196 -0.293437
H -4.185126 1.722052 -1.740296
H -5.144625 0.856282 -0.508603
H -2.365213 0.528680 1.915698
H -3.268719 2.071106 2.049594
H -4.147843 0.526842 1.790389


%chk=000248833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248833

0 1
O -0.181971 -1.113957 -0.617829
O -0.938269 1.414440 0.682757
O -1.003128 -1.517187 1.571388
O -1.584900 1.424240 -1.601446
O 5.406086 0.992569 0.212071
O 4.813829 -0.997855 -0.733445
N -2.028024 -2.451493 -0.335418
N -3.171489 1.365602 0.143551
N 4.524146 0.130405 -0.173921
C 0.766827 -0.177350 -0.158210
C 0.394438 1.069836 0.417185
C 2.121524 -0.482101 -0.357736
C 3.096638 0.455888 0.039589
C 1.391070 1.983447 0.822847
C 2.752319 1.686891 0.640531
C -1.097660 -1.694668 0.332631
C -1.908963 1.385764 -0.392346
C -2.964937 -3.269425 0.453062
C -2.076466 -2.582176 -1.804010
C -4.320442 1.549510 -0.759442
C -3.443459 1.254698 1.590244
H 2.415729 -1.433420 -0.806625
H 1.071402 2.928291 1.270727
H 3.539455 2.382821 0.939022
H -2.818353 -4.344198 0.233842
H -2.782728 -3.093066 1.523600
H -4.010283 -2.999852 0.211372
H -1.623806 -1.699904 -2.276399
H -1.538242 -3.487737 -2.145162
H -3.132116 -2.660152 -2.120415
H -4.898255 2.447446 -0.469546
H -3.952771 1.674348 -1.788895
H -4.990344 0.670078 -0.717741
H -2.637225 0.694110 2.084061
H -3.531472 2.251995 2.062549
H -4.395758 0.712862 1.729761


