%chk=000122042.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122042

0 1
 O    2.080000       1.583500      0.7401000    
 O  -5.0000002E-04   2.413400       1.132900    
 O   -5.992900      -2.051600       1.244300    
 O   -6.162900       1.783500      -1.350100    
 N    6.536600     -4.2800002E-02 -2.9100001E-02
 N   -5.558000     -0.1012000     -3.8199998E-02
 C    2.345500     -0.6087000     -0.2867000    
 C    5.142300     -0.2297000     -0.1132000    
 C   0.8748000     -0.7420000     -0.3473000    
 C    2.896400      0.5498000      0.2548000    
 C   0.1048000      0.2632000      0.1249000    
 C    4.275600      0.7538000      0.3486000    
 C    7.445500      -1.064900     -0.5101000    
 C    7.082000       1.180100      0.5270000    
 C    3.239900      -1.588200     -0.7463000    
 C    4.624700      -1.400400     -0.6606000    
 C   -1.352500      0.1693000      8.3400004E-02
 C   0.6989000       1.500600      0.7041000    
 C   0.3210000      -2.015200     -0.9435000    
 C   -2.040600     -0.3876000       1.157300    
 C   -2.043400      0.6370000      -1.030700    
 C   -4.129100     -1.0100000E-02  2.7000001E-03
 C    7.600600      -2.157500      0.5302000    
 C    7.069100       2.280000     -0.5173000    
 C   -3.432000     -0.4775000       1.116900    
 C   -3.434800      0.5473000      -1.071000    
 C   -6.311500      -1.075200      0.5855000    
 C   -6.392100      0.7719000     -0.7072000    
 C   -7.720200     -0.7813000      0.2848000    
 C   -7.767100      0.3006000     -0.4861000    
 H    4.608000       1.687600      0.7879000    
 H    7.150400      -1.468600      -1.485100    
 H    8.435600     -0.6255000     -0.6891000    
 H    6.578200       1.487600       1.450300    
 H    8.123900       1.014900      0.8317000    
 H    2.885200      -2.518600      -1.182200    
 H    5.240300      -2.207100      -1.043200    
 H  -0.7705000      -2.063200     -0.9648000    
 H   0.6567000      -2.884700     -0.3672000    
 H   0.6548000      -2.128100      -1.981100    
 H   -1.511000     -0.7502000       2.034800    
 H   -1.515100       1.068400      -1.877400    
 H    7.979500      -1.747000       1.472800    
 H    6.662000      -2.672400      0.7523000    
 H    8.317200      -2.908200      0.1814000    
 H    7.649300       1.987500      -1.399400    
 H    6.060900       2.532000     -0.8578000    
 H    7.519300       3.190400     -0.1085000    
 H   -3.941400     -0.8913000       1.981600    
 H   -3.942400      0.8956000      -1.965200    
 H   -8.553500      -1.367100      0.6344000    
 H   -8.646700      0.7775000     -0.8847000    


%chk=000122042-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122042

0 1
O 2.078282 1.577163 0.641100
O -0.008401 2.462336 1.015168
O -6.061525 -2.087196 1.223968
O -6.230985 1.883917 -1.327542
N 6.583940 -0.042923 -0.035731
N -5.701485 -0.073001 -0.036338
C 2.343065 -0.675454 -0.303062
C 5.206679 -0.241626 -0.122441
C 0.898158 -0.822641 -0.364611
C 2.902673 0.534156 0.206364
C 0.075557 0.217480 0.072111
C 4.282900 0.763144 0.296024
C 7.549920 -1.035850 -0.551444
C 7.150478 1.176204 0.580693
C 3.277643 -1.667340 -0.722163
C 4.658608 -1.472209 -0.636941
C -1.423273 0.141159 0.042094
C 0.627002 1.472311 0.598591
C 0.318274 -2.113896 -0.905517
C -2.146178 -0.358737 1.153777
C -2.151027 0.583892 -1.090356
C -4.263309 0.002512 -0.010204
C 7.898506 -2.146153 0.467528
C 7.274381 2.364829 -0.400909
C -3.553570 -0.426177 1.138037
C -3.558091 0.509902 -1.128705
C -6.491008 -1.098431 0.583591
C -6.574695 0.865602 -0.683194
C -7.929995 -0.756807 0.303896
C -7.978609 0.384059 -0.431755
H 4.605069 1.732866 0.679711
H 7.162181 -1.480458 -1.486352
H 8.470773 -0.491139 -0.831812
H 6.539374 1.463546 1.456080
H 8.150713 0.918168 0.976093
H 2.906602 -2.618599 -1.117088
H 5.322064 -2.279167 -0.956908
H -0.781165 -2.098831 -0.896825
H 0.655493 -2.978985 -0.303781
H 0.653131 -2.290294 -1.945199
H -1.602546 -0.688559 2.045563
H -1.611112 0.992256 -1.951384
H 8.336889 -1.713619 1.384918
H 6.999013 -2.715532 0.759570
H 8.632611 -2.851706 0.036046
H 7.930812 2.106666 -1.251646
H 6.289143 2.650805 -0.807441
H 7.705827 3.244529 0.111319
H -4.092038 -0.817991 2.003745
H -4.100960 0.861276 -2.008967
H -8.743247 -1.383614 0.669485
H -8.841741 0.927758 -0.815558


