%chk=000257233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257233

0 1
O 2.154411 0.526810 -1.562584
O 1.979956 1.311451 0.631348
O -0.860046 0.575372 1.394101
O 0.919228 -1.888506 0.307114
O 3.057188 -1.270897 0.715636
N 0.095461 0.487208 -0.689627
C -2.367297 0.511360 -0.523576
C -3.473998 0.821741 0.504759
C -2.605445 -0.825612 -1.253301
C -1.013522 0.503339 0.194092
C 1.497126 0.374741 -0.296522
C -4.765927 1.285123 -0.158427
C -2.328925 -2.048141 -0.385438
C 1.952057 -0.990887 0.329112
C 3.572350 0.814246 -1.506770
C 1.422037 2.647759 0.607241
C 1.181430 -3.194943 0.897053
H -2.360145 1.333597 -1.284369
H -3.661674 -0.074795 1.130615
H -3.114528 1.595923 1.215495
H -1.980377 -0.870073 -2.166758
H -3.656728 -0.850518 -1.608899
H -0.054350 0.418038 -1.703122
H -5.540372 1.483343 0.592996
H -5.166383 0.529115 -0.844212
H -4.624861 2.209200 -0.730134
H -2.587401 -2.974413 -0.908981
H -2.905380 -2.022476 0.547729
H -1.266146 -2.114046 -0.103910
H 3.742559 1.751696 -0.968254
H 4.102102 -0.014947 -1.020174
H 3.831054 0.897007 -2.567731
H 1.342851 3.023684 -0.414683
H 0.451827 2.626642 1.119544
H 2.162315 3.208789 1.191474
H 0.952041 -3.122561 1.965231
H 0.482401 -3.849884 0.368110
H 2.223514 -3.495487 0.737923


%chk=000257233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257233

0 1
O 2.238581 0.744727 -1.480713
O 1.962610 1.512777 0.787452
O -0.790578 0.022961 1.402482
O 1.093541 -1.815965 -0.175167
O 2.790682 -1.056987 1.227245
N 0.143346 0.696864 -0.615131
C -2.305622 0.413864 -0.515385
C -3.385062 0.973577 0.448178
C -2.634745 -1.006066 -1.090226
C -0.942211 0.365192 0.192687
C 1.529954 0.561153 -0.199446
C -4.793322 1.057180 -0.176226
C -2.894214 -2.092993 -0.024675
C 1.875809 -0.830560 0.414229
C 3.709530 0.673013 -1.374138
C 1.539635 2.901776 0.530547
C 1.332744 -3.190807 0.327064
H -2.225510 1.102692 -1.384559
H -3.401248 0.354358 1.362942
H -3.069572 1.984480 0.774902
H -1.794020 -1.324936 -1.738084
H -3.519559 -0.911310 -1.749184
H 0.014572 0.891614 -1.610534
H -5.500630 1.535092 0.525919
H -5.194484 0.056793 -0.420102
H -4.789396 1.655796 -1.107443
H -3.056017 -3.073531 -0.509521
H -3.791551 -1.865640 0.578563
H -2.039773 -2.180879 0.668251
H 4.065475 1.251027 -0.503594
H 4.047779 -0.375726 -1.281115
H 4.086233 1.107256 -2.312619
H 1.769078 3.206702 -0.507686
H 0.460046 3.021996 0.730083
H 2.121349 3.505476 1.242910
H 1.118886 -3.233992 1.407867
H 0.635960 -3.821488 -0.241974
H 2.380109 -3.487490 0.148301


