%chk=000076053.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076053

0 1
 O    2.014500      0.9569000      0.1267000    
 O    1.749500     -0.8966000       1.466000    
 O   -5.038200      -1.631000     -0.2067000    
 N    5.491600     -1.1800000E-02 -0.6199000    
 N   -4.210800      0.5743000     -0.3119000    
 C    4.037800      4.7200002E-02 -0.7679000    
 C    3.422400      0.9140000      0.3190000    
 C    6.082400     -0.8122000      -1.691900    
 C    5.850500     -0.5626000      0.6864000    
 C  -0.1551000      0.1434000      0.4783000    
 C    1.294600     -1.0600000E-02  0.7594000    
 C   -2.849000      0.4300000     -4.5899998E-02
 C  -0.9547000     -0.9810000      0.4622000    
 C  -0.6577000       1.406500      0.2409000    
 C   -2.316400     -0.8362000      0.1971000    
 C   -2.019600       1.551400     -2.4200000E-02
 C   -5.190600     -0.4256000     -0.3765000    
 C   -6.551100      0.1440000     -0.6911000    
 H    3.591200     -0.9560000     -0.7497000    
 H    3.774400      0.4765000      -1.743400    
 H    3.791000       1.943000      0.2366000    
 H    3.639600      0.5822000       1.338600    
 H    5.836200     -0.3863000      -2.671100    
 H    5.736600      -1.852100      -1.671000    
 H    7.175500     -0.8103000      -1.617400    
 H    6.928100     -0.7637000      0.7320000    
 H    5.330300      -1.502700      0.9039000    
 H    5.666500      0.1500000       1.495900    
 H  -0.5498000      -1.971800      0.6465000    
 H  -3.6200002E-02   2.296400      0.2655000    
 H   -2.894100      -1.749900      0.1958000    
 H   -2.421700       2.544300     -0.2092000    
 H   -4.521700       1.529000     -0.4790000    
 H   -6.855700      0.8325000      0.1021000    
 H   -7.284200     -0.6643000     -0.7615000    
 H   -6.518800      0.6769000      -1.645600    


%chk=000076053-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076053

0 1
O 2.028820 0.965594 0.161199
O 1.738730 -0.982328 1.420291
O -5.350961 -1.310580 0.632940
N 5.626121 -0.073015 -0.405849
N -4.345291 0.516422 -0.450670
C 4.175367 0.031870 -0.680712
C 3.496074 0.885700 0.407943
C 6.452845 -0.183364 -1.623688
C 5.954379 -1.120285 0.585006
C -0.194368 0.108080 0.407382
C 1.248949 -0.055940 0.724413
C -2.971799 0.333920 -0.136872
C -1.113562 -0.843308 0.919945
C -0.679910 1.180266 -0.386768
C -2.491615 -0.743964 0.658512
C -2.053031 1.291070 -0.654999
C -5.444487 -0.268589 -0.076986
C -6.788788 0.234752 -0.598544
H 3.675701 -0.964928 -0.732218
H 4.030788 0.525391 -1.658726
H 3.848088 1.927116 0.364849
H 3.666718 0.463189 1.412744
H 6.245314 0.666989 -2.297023
H 6.283512 -1.130640 -2.195909
H 7.522080 -0.144145 -1.346703
H 7.016885 -1.036127 0.875773
H 5.778629 -2.155066 0.197242
H 5.342284 -0.995738 1.494080
H -0.725587 -1.665322 1.530520
H 0.025959 1.915226 -0.782089
H -3.199333 -1.474697 1.052227
H -2.421086 2.123366 -1.268973
H -4.555035 1.334583 -1.027084
H -7.456681 0.423050 0.259553
H -7.256169 -0.559121 -1.206149
H -6.722241 1.154371 -1.205656


