%chk=000240474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240474

0 1
O -3.966604 1.509753 1.797846
O -2.765482 2.593532 0.371108
N 4.837111 -0.826742 0.395745
N -3.184894 1.556151 0.859629
N -4.262224 -3.113862 -0.084669
C -0.483216 1.229812 -0.497385
C 0.930605 0.721332 -0.302489
C -1.491789 0.105545 -0.343182
C -0.716235 1.925139 -1.844837
C -2.735746 0.262006 0.283966
C 1.395060 0.504287 1.006014
C 1.797576 0.458772 -1.370392
C -1.189680 -1.173432 -0.865228
C 3.563145 -0.220514 0.166570
C 2.685917 0.044324 1.244919
C 3.095088 -0.000151 -1.147988
C -3.645253 -0.801712 0.415914
C -2.070621 -2.236630 -0.759864
C -3.319653 -2.059058 -0.111600
C 5.434972 -0.606091 1.742784
C 5.851971 -0.644304 -0.680128
H -0.662605 2.008135 0.299704
H -0.698276 1.226296 -2.686513
H 0.039979 2.698133 -2.024861
H -1.696504 2.425554 -1.846255
H 0.735988 0.698663 1.852936
H 1.465234 0.615166 -2.396900
H -0.226001 -1.322955 -1.362536
H 3.008025 -0.119613 2.270847
H 3.738197 -0.196604 -2.002665
H -4.597611 -0.636096 0.926308
H -1.809723 -3.206346 -1.182014
H 5.668007 0.447864 1.959878
H 6.361968 -1.195480 1.832994
H 4.742918 -0.979647 2.518111
H 6.753178 -1.230306 -0.436612
H 6.148869 0.403893 -0.839486
H 5.457331 -1.045902 -1.630038
H -4.986025 -3.047144 0.618004
H -3.885898 -4.048970 -0.152036


%chk=000240474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240474

0 1
O -4.147011 1.545963 1.787006
O -2.811760 2.673458 0.331112
N 4.945152 -0.532460 0.412231
N -3.263675 1.571244 0.840075
N -4.150084 -3.191639 0.213804
C -0.499119 1.295972 -0.597680
C 0.941747 0.815896 -0.376151
C -1.510124 0.160538 -0.350268
C -0.753004 1.918304 -1.996468
C -2.768876 0.276204 0.309279
C 1.371686 0.482897 0.936182
C 1.896410 0.686649 -1.413808
C -1.195329 -1.149004 -0.807057
C 3.640117 -0.092002 0.154970
C 2.677856 0.041499 1.207974
C 3.213389 0.246358 -1.166871
C -3.641255 -0.818180 0.519625
C -2.051156 -2.247901 -0.643328
C -3.299303 -2.102576 0.035373
C 5.354275 -0.856235 1.783124
C 5.913417 -0.631899 -0.684596
H -0.702544 2.098386 0.134972
H -0.651012 1.167609 -2.801970
H -0.040949 2.741015 -2.190314
H -1.774613 2.330989 -2.035851
H 0.661940 0.573623 1.768939
H 1.620365 0.942034 -2.442890
H -0.225680 -1.298399 -1.293865
H 2.952033 -0.193186 2.240559
H 3.909210 0.171294 -2.007654
H -4.575448 -0.642968 1.061029
H -1.754941 -3.230697 -1.030111
H 5.279916 0.021349 2.458775
H 6.402828 -1.194047 1.782518
H 4.736433 -1.669751 2.216072
H 6.876499 -0.995691 -0.292563
H 6.092556 0.349820 -1.170866
H 5.576424 -1.340893 -1.468941
H -5.030882 -3.089642 0.708949
H -3.898390 -4.111133 -0.135718


