%chk=000123826.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123826

0 1
 O    1.907800       1.439400     -0.1917000    
 O    2.258600      -2.637400     -0.5853000    
 O    4.634600     -0.9994000     -0.1011000    
 O    4.027100       3.180500     -3.9500002E-02
 O   -1.431100      0.7960000       2.187500    
 O  -0.6547000      -3.029800     -0.9781000    
 O   -2.990500     -0.7279000      -1.468300    
 O   -4.441500     -0.2805000      0.2151000    
 N  -0.1093000      -1.530000      0.7163000    
 N  -0.3666000       1.348200      0.1955000    
 N   -4.309000       2.311000      -1.210100    
 C   0.8750000     -0.7589000     -1.2300000E-02
 C    2.262600      -1.397400      0.1245000    
 C    3.351500     -0.4908000     -0.4567000    
 C   0.8881000      0.6950000      0.4702000    
 C    3.216300      0.9363000      8.0300003E-02
 C    4.217200       1.883400     -0.5746000    
 C   -1.428400       1.342500       1.086500    
 C  -0.7891000      -2.601500      0.1651000    
 C   -2.635400       2.106600      0.5754000    
 C   -3.143900       1.547100     -0.7557000    
 C   -1.734900      -3.240400       1.146500    
 C   -3.604300      0.1080000     -0.5895000    
 H   0.5923000     -0.7841000      -1.074400    
 H    2.477400      -1.631300       1.175000    
 H    3.285900     -0.5004000      -1.551500    
 H    1.063300      0.7418000       1.553300    
 H    3.382800      0.9663000       1.165900    
 H  -0.2515000      -1.312700       1.698800    
 H    5.249700       1.579000     -0.3811000    
 H    4.063500       1.942800      -1.657200    
 H  -0.4425000       1.856500     -0.6794000    
 H    3.150300      -3.018100     -0.5085000    
 H    4.701400     -0.9947000      0.8690000    
 H   -2.345900       3.159200      0.4669000    
 H   -3.414800       2.059200       1.346500    
 H    3.106500       3.439500     -0.2159000    
 H   -2.373100       1.595600      -1.531500    
 H   -2.428400      -3.896700      0.6138000    
 H   -1.164900      -3.827900       1.871200    
 H   -2.313900      -2.474900       1.671500    
 H   -4.050400       3.290400      -1.323800    
 H   -4.592500       1.984000      -2.133300    
 H   -3.296600      -1.654200      -1.365700    


%chk=000123826-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123826

0 1
O 1.804778 1.203227 -0.412618
O 2.622952 -2.869594 0.265443
O 4.821672 -0.996802 0.248407
O 3.794790 3.233128 -0.542444
O -0.723353 2.128380 2.052616
O -1.258749 -2.283956 -1.135870
O -2.348666 -0.122560 -1.896289
O -3.969801 -0.510976 -0.265896
N -0.010152 -1.904016 0.778054
N -0.507115 0.952427 0.056349
N -4.625025 2.349258 -0.837041
C 0.989696 -1.065668 0.105488
C 2.418775 -1.452936 0.539160
C 3.471017 -0.593750 -0.196501
C 0.798108 0.461162 0.397276
C 3.196391 0.909025 0.005062
C 4.068193 1.832143 -0.852302
C -1.215456 1.768099 0.940908
C -1.069248 -2.479724 0.116885
C -2.642715 2.190058 0.570335
C -3.260225 1.818392 -0.810821
C -2.024919 -3.324879 0.932983
C -3.285269 0.281276 -0.948316
H 0.878113 -1.237329 -0.980947
H 2.532108 -1.254617 1.636405
H 3.461353 -0.847928 -1.271147
H 0.968741 0.686023 1.471285
H 3.315085 1.181872 1.081023
H 0.136701 -2.140949 1.761347
H 5.135089 1.670903 -0.630283
H 3.882840 1.607596 -1.924335
H -0.913200 0.684162 -0.851770
H 3.603895 -3.032485 0.287722
H 4.980505 -0.653233 1.166889
H -2.672931 3.290955 0.686224
H -3.311031 1.779711 1.350606
H 2.814445 3.366916 -0.624858
H -2.604466 2.199747 -1.626886
H -3.015148 -2.834373 0.912407
H -2.135001 -4.311184 0.451790
H -1.708551 -3.464922 1.980227
H -4.724642 3.321994 -0.542309
H -5.190944 2.100096 -1.649771
H -2.079940 -1.115370 -1.784889


