%chk=000227045.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227045

0 1
 O    1.732200     -0.7737000      0.4263000    
 O    3.504400       1.486200      -1.724900    
 O   0.9318000       2.612500     -0.4151000    
 O    4.188800     -0.1692000       1.678900    
 N  -0.5267000     -0.2743000     -7.3399998E-02
 N   -2.007100      -1.640900      -1.030400    
 N   -2.040500       1.240200       1.073900    
 N   -4.370800      0.6250000      0.6898000    
 N   -4.999400      -1.249600     -0.6584000    
 C    2.900100     -0.4168000     -0.3330000    
 C    2.814300       1.084600     -0.5568000    
 C    1.321600       1.283000     -0.7125000    
 C   0.7680000      0.2898000      0.3030000    
 C    4.145500     -0.8429000      0.4236000    
 C    4.180300      -2.345700      0.6633000    
 C   -1.760100      0.1842000      0.2955000    
 C  -0.7283000      -1.371300     -0.8697000    
 C   -2.663400     -0.6765000     -0.3074000    
 C   -4.014000     -0.4262000     -8.6900003E-02
 C   -3.376600       1.381700       1.214200    
 H    2.852500     -0.9554000      -1.288400    
 H    3.193900       1.673700      0.2850000    
 H   0.9990000       1.059600      -1.736900    
 H   0.6454000      0.7405000       1.295200    
 H    5.035800     -0.5460000     -0.1428000    
 H    4.123800      -2.901300     -0.2776000    
 H    5.107600      -2.626500       1.174600    
 H    3.359900      -2.666600       1.314300    
 H    3.166100      0.9687000      -2.475200    
 H  -3.9500002E-02   2.645800     -0.4457000    
 H   8.6099997E-02  -1.931100      -1.309300    
 H    5.004500     -0.4439000       2.131500    
 H   -3.698600       2.214300       1.830500    
 H   -4.735700      -2.034800      -1.238300    
 H   -5.974200      -1.047100     -0.4833000    


%chk=000227045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227045

0 1
O 1.815042 -1.089791 -0.420449
O 3.298032 1.947505 -1.657551
O 0.760630 2.361486 0.346250
O 3.589817 -0.338724 1.725975
N -0.468585 -0.642698 -0.005731
N -2.195142 -2.116134 -0.362443
N -1.796715 1.450755 0.294997
N -4.207013 1.050930 0.098958
N -5.120864 -1.083704 -0.332983
C 3.093455 -0.336063 -0.618654
C 2.739799 1.186113 -0.542127
C 1.197811 1.229294 -0.420732
C 0.899337 -0.150796 0.235447
C 4.141282 -0.764443 0.421356
C 4.436195 -2.271051 0.397636
C -1.643645 0.108405 0.066049
C -0.859848 -1.969743 -0.259545
C -2.697284 -0.818705 -0.154962
C -4.023478 -0.295161 -0.132652
C -3.109494 1.835094 0.295865
H 3.455490 -0.600658 -1.628341
H 3.171808 1.645275 0.359387
H 0.748776 1.208061 -1.445266
H 1.105728 -0.101888 1.322910
H 5.068005 -0.187864 0.200088
H 4.843342 -2.577002 -0.583849
H 5.183139 -2.543153 1.167275
H 3.508162 -2.837711 0.583375
H 2.738854 1.805893 -2.464388
H -0.259026 2.291805 0.406113
H -0.123931 -2.760126 -0.372678
H 4.189901 -0.640930 2.451739
H -3.302820 2.896375 0.474070
H -5.003620 -2.080115 -0.506160
H -6.046441 -0.660532 -0.305378


