%chk=000123889.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123889

0 1
 O    6.610600       1.266500     -0.9633000    
 O    7.364000     -8.9699998E-02  0.6887000    
 O   -4.892700      -1.141700     -0.2849000    
 O   -3.286500       1.899700      0.4687000    
 N   -1.049700      0.5208000      0.1164000    
 N    5.272600      -1.726100      0.6145000    
 C    2.623100     -0.4460000     -0.1586000    
 C    1.400600      0.4466000      6.9399998E-02
 C    3.960000      0.2869000      1.7800000E-02
 C   0.1038000     -0.3455000     -9.6100003E-02
 C    5.201800     -0.5651000     -0.2737000    
 C   -2.292600     -0.2162000     -6.2600002E-02
 C    6.497300      0.2060000     -0.1261000    
 C   -3.473900      0.7173000      0.1751000    
 C   -4.829000      0.1526000      3.8500000E-02
 C   -6.025900      0.7402000      0.1897000    
 C   -6.961400     -0.2908000     -6.4800002E-02
 C   -6.222300      -1.415500     -0.3486000    
 H    2.578600     -0.8649000      -1.171700    
 H    2.577200      -1.292600      0.5371000    
 H    1.447500      0.8784000       1.077000    
 H    1.424100       1.281600     -0.6420000    
 H    4.019300      0.6864000       1.039300    
 H    3.966400       1.162700     -0.6439000    
 H   8.9800000E-02  -1.169800      0.6271000    
 H   7.0799999E-02 -0.7802000      -1.102800    
 H    5.161500     -0.9359000      -1.304600    
 H   -1.015600       1.298000     -0.5434000    
 H   -2.357100      -1.037100      0.6604000    
 H   -2.364600     -0.6123000      -1.081800    
 H    6.112200      -2.267800      0.4140000    
 H    5.346000      -1.419700       1.583800    
 H   -6.235800       1.768200      0.4475000    
 H    7.456400       1.746400     -0.8343000    
 H   -8.039500     -0.2228000     -4.4100001E-02
 H   -6.478000      -2.434000     -0.6023000    


%chk=000123889-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123889

0 1
O 6.675436 1.336486 -1.079451
O 7.279824 0.405116 0.962298
O -5.078967 -1.197218 0.012974
O -3.190112 1.922104 -0.066611
N -1.039888 0.253046 0.237550
N 5.380668 -1.749103 0.502384
C 2.721037 -0.453960 -0.280009
C 1.440835 0.266377 0.196233
C 4.004413 0.297244 0.129939
C 0.154144 -0.476621 -0.213237
C 5.294353 -0.491115 -0.248990
C -2.327111 -0.363938 -0.044300
C 6.513764 0.422647 -0.026665
C -3.446190 0.677918 -0.040273
C -4.833989 0.202407 -0.037583
C -6.054403 0.875269 -0.078052
C -7.095515 -0.118693 -0.052953
C -6.468182 -1.357380 0.001800
H 2.698607 -0.558774 -1.385074
H 2.764363 -1.477996 0.136523
H 1.448483 0.372642 1.298478
H 1.414336 1.295905 -0.220907
H 4.005313 0.471459 1.225620
H 4.035500 1.289812 -0.358980
H 0.152848 -1.483151 0.252722
H 0.162082 -0.643264 -1.322604
H 5.246199 -0.721189 -1.329425
H -1.040468 1.259027 0.022631
H -2.570901 -1.165259 0.683107
H -2.374044 -0.858914 -1.052162
H 6.063243 -2.413818 0.123187
H 5.535655 -1.596956 1.506293
H -6.165624 1.956473 -0.120149
H 7.447695 1.935274 -0.885973
H -8.169171 0.055965 -0.070939
H -6.825230 -2.383222 0.038001


