%chk=000056634.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056634

0 1
 O    1.709000      -1.099200      0.6746000    
 O  -0.8880000      -1.837000      0.9393000    
 N   -2.674100      0.9514000      0.6461000    
 N  -0.1163000      9.5200002E-02 -0.1575000    
 N    3.096500      -1.040600      0.7198000    
 C   -2.487100     -0.3271000     -4.1800000E-02
 C   -2.664700     -0.1248000      -1.552200    
 C   -1.075600     -0.7910000      0.3240000    
 C   -2.411700      -1.405700      -2.338000    
 C   -2.540400      0.7769000       2.091400    
 C   -3.979900       1.521100      0.3175000    
 C    1.267000     -2.5699999E-02 -1.8000000E-03
 C    2.284100      0.7577000     -0.4174000    
 C    3.416900      7.6899998E-02  6.1099999E-02
 C    2.232000       2.015600      -1.180200    
 C    4.832300      0.4564000     -8.4899999E-02
 H   -3.200200      -1.083300      0.3140000    
 H   -3.697200      0.1578000      -1.787300    
 H   -2.022200      0.6685000      -1.951100    
 H   -3.053500      -2.218300      -1.982400    
 H   -2.628000      -1.244800      -3.399200    
 H   -1.369200      -1.728400      -2.257800    
 H   -1.525200      0.4988000       2.392600    
 H   -3.240200      3.0500000E-02   2.485400    
 H   -2.739400       1.723800       2.607900    
 H   -4.798500      0.8048000      0.4533000    
 H   -4.008500       1.922100     -0.7005000    
 H   -4.191500       2.386300      0.9582000    
 H  -0.4182000      0.9362000     -0.6411000    
 H    2.088100       2.865100     -0.5048000    
 H    3.156100       2.181700      -1.743000    
 H    1.407400       2.009000      -1.900600    
 H    4.992600       1.486800      0.2489000    
 H    5.490900     -0.1896000      0.5052000    
 H    5.141600      0.3835000      -1.132600    


%chk=000056634-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056634

0 1
O 1.911180 -1.436427 -0.153017
O -0.863578 -2.283711 0.257690
N -2.425904 0.991407 0.367689
N -0.075781 -0.073772 -0.104499
N 3.379443 -1.220687 -0.195171
C -2.475528 -0.434213 -0.105411
C -2.926074 -0.570214 -1.588212
C -1.059504 -1.057406 0.058090
C -2.953583 -2.029669 -2.092383
C -2.371558 1.048164 1.854698
C -3.476835 1.898749 -0.154406
C 1.306412 -0.180136 -0.123754
C 2.265543 0.831921 -0.149035
C 3.522954 0.128607 -0.192067
C 2.039694 2.320623 -0.113967
C 4.906774 0.715988 -0.233165
H -3.160937 -1.049099 0.521844
H -3.944017 -0.147810 -1.684035
H -2.256382 0.038324 -2.228228
H -3.615242 -2.653974 -1.464606
H -3.332774 -2.063402 -3.129731
H -1.954046 -2.493759 -2.072648
H -1.547606 0.415623 2.227636
H -3.317317 0.695881 2.327484
H -2.184231 2.086450 2.180209
H -4.509534 1.580316 0.121016
H -3.415659 1.980440 -1.250567
H -3.308614 2.905217 0.268092
H -0.521920 0.869998 -0.126563
H 1.940610 2.703257 0.920790
H 2.883348 2.857720 -0.581348
H 1.124643 2.611900 -0.663689
H 5.098638 1.345607 0.654713
H 5.658464 -0.089484 -0.258480
H 5.043822 1.348168 -1.129869


