%chk=000244594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244594

0 1
O -0.272663 -1.532915 -1.720367
O -4.653374 1.210530 -0.537978
O -4.180928 0.021816 1.300600
N 0.858490 -0.285768 -0.183329
C 0.877719 0.589759 1.011688
C 2.152294 -0.600179 -0.847110
C 1.045692 2.104083 0.712360
C 2.960616 -1.732719 -0.164248
C 0.113417 2.580208 -0.402386
C 2.503165 2.458859 0.402901
C 2.086307 -2.953226 0.129972
C 3.675853 -1.240091 1.098131
C -0.302041 -0.833290 -0.716053
C -1.591809 -0.568834 0.007437
C -2.535882 0.229063 -0.492920
C -3.815766 0.423518 0.219368
H 1.715364 0.248497 1.675947
H -0.055380 0.443567 1.599274
H 2.763572 0.333770 -0.897844
H 1.934660 -0.903164 -1.902448
H 0.757891 2.639889 1.655956
H 3.745718 -2.041460 -0.904615
H 0.205200 3.660728 -0.562355
H -0.935885 2.373856 -0.166483
H 0.340589 2.092990 -1.358587
H 2.882016 1.885778 -0.458694
H 3.161436 2.248849 1.252119
H 2.611402 3.521644 0.158832
H 2.692743 -3.832024 0.370068
H 1.457333 -3.207762 -0.736303
H 1.410502 -2.778915 0.973544
H 2.967791 -0.800422 1.816853
H 4.426771 -0.478314 0.865982
H 4.188954 -2.063144 1.608298
H -1.721941 -1.127572 0.942746
H -2.437978 0.764452 -1.444713
H -5.535647 1.359043 -0.100542


%chk=000244594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244594

0 1
O -0.100599 -1.043662 -1.782444
O -4.935363 -0.241958 -0.744900
O -3.965462 0.703137 1.148261
N 1.115649 -0.041115 -0.054503
C 1.242099 0.905147 1.085896
C 2.367365 -0.596456 -0.642038
C 1.321146 2.424051 0.723863
C 2.842508 -1.953824 -0.037312
C 0.020084 2.982674 0.104442
C 2.536406 2.763296 -0.171537
C 1.801603 -3.083671 -0.210284
C 3.289874 -1.843374 1.440455
C -0.083495 -0.376776 -0.692377
C -1.367420 0.022518 -0.032109
C -2.563009 -0.242614 -0.627127
C -3.831056 0.129365 0.037549
H 2.167207 0.635259 1.624070
H 0.412391 0.748950 1.798397
H 3.168047 0.152119 -0.512752
H 2.183211 -0.736243 -1.721670
H 1.472337 2.928778 1.703375
H 3.738648 -2.218598 -0.640386
H 0.124592 4.067474 -0.081949
H -0.852187 2.841071 0.768266
H -0.203480 2.501135 -0.865276
H 2.430696 2.308981 -1.173812
H 3.486785 2.411429 0.272747
H 2.615161 3.857167 -0.309532
H 2.224452 -4.050110 0.122212
H 1.476765 -3.177061 -1.260088
H 0.899928 -2.883947 0.398033
H 2.428409 -1.638893 2.103690
H 4.042642 -1.044705 1.586831
H 3.741390 -2.795331 1.775779
H -1.373938 0.507316 0.949131
H -2.605695 -0.732159 -1.604627
H -5.771491 0.021731 -0.273173


