%chk=000131125.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131125

0 1
 O   -4.426100       1.393400     -0.3918000    
 O  -0.7134000      -1.333900     -0.1093000    
 N    1.602300      -1.109300     -5.2299999E-02
 N    1.267600       1.659700      3.5399999E-02
 N   -2.769600      0.1707000      0.4899000    
 N   -3.249900       2.125800     -0.5964000    
 N  -0.5217000       2.980700      4.4399999E-02
 C   -5.054100     -0.8312000      0.6673000    
 C   -5.944400      -1.433200     -0.3824000    
 C   -4.823400      -2.241100      0.2026000    
 C   -4.054300      0.2571000      0.2538000    
 C    1.815700      -2.553600     -9.7099997E-02
 C    2.748300     -0.2336000      1.5000000E-03
 C   0.1804000      0.8258000     -1.5799999E-02
 C   0.2810000     -0.6104000     -6.2899999E-02
 C    2.580900       1.166400      4.5800000E-02
 C  -0.9104000       1.667500     -9.3999999E-03
 C    2.579100      -2.974000       1.163400    
 C   0.4502000      -3.247600     -0.1408000    
 C    2.627800      -2.909300      -1.348000    
 C   -2.318500       1.339400     -4.9800001E-02
 C   0.7934000       2.944300      7.0200004E-02
 C    4.060100     -0.7328000      1.2000000E-02
 C    3.675800       2.035500      9.8099999E-02
 C    5.157300      0.1327000      6.4499997E-02
 C    4.965700       1.510900      0.1071000    
 H   -5.477600     -0.7013000       1.656800    
 H   -5.842600      -1.103100      -1.409100    
 H   -6.956200      -1.693900     -9.6000001E-02
 H   -5.082000      -3.044200      0.8821000    
 H   -3.971500      -2.452000     -0.4327000    
 H    2.223100      -2.425600       2.044900    
 H    2.376700      -4.034400       1.368900    
 H    3.666000      -2.928400       1.162600    
 H  -0.1102000      -3.094000      -1.072100    
 H  -0.1375000      -3.149600      0.7813000    
 H   0.6395000      -4.333400     -0.1710000    
 H    2.778900      -2.069900      -2.036100    
 H    3.596300      -3.370300      -1.126300    
 H    2.102600      -3.669400      -1.941700    
 H    1.430800       3.816700      0.1138000    
 H    4.355000      -1.759400     -0.1004000    
 H    3.558300       3.114000      0.1312000    
 H    6.166200     -0.2710000      5.3399999E-02
 H    5.822800       2.177000      0.1432000    


%chk=000131125-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131125

0 1
O -4.464753 1.507732 -0.701916
O -0.456399 -1.043356 -1.356783
N 1.659005 -1.048224 -0.277045
N 1.293592 1.648102 0.369958
N -2.889530 0.126659 0.189324
N -3.202148 2.272665 -0.679801
N -0.547116 2.933873 0.669480
C -5.242978 -0.753131 -0.092643
C -4.894002 -2.230864 -0.413265
C -5.187908 -1.824076 1.023685
C -4.167769 0.239047 -0.166739
C 1.729089 -2.580596 -0.159937
C 2.799781 -0.200356 -0.126361
C 0.200072 0.896311 -0.102692
C 0.406271 -0.448086 -0.653147
C 2.625087 1.173853 0.242355
C -0.932059 1.712816 0.096550
C 2.733408 -2.980945 0.959904
C 0.349844 -3.130826 0.313233
C 2.085708 -3.205790 -1.533764
C -2.334190 1.377190 -0.140872
C 0.790545 2.871219 0.812255
C 4.131198 -0.626944 -0.393568
C 3.726892 2.039022 0.418390
C 5.228887 0.234862 -0.211573
C 5.036391 1.568677 0.217414
H -6.222633 -0.381782 -0.401847
H -3.853203 -2.426873 -0.684485
H -5.643152 -2.803355 -0.966724
H -6.141209 -2.115798 1.472261
H -4.343364 -1.755061 1.714005
H 2.487262 -2.459646 1.902181
H 2.629859 -4.065990 1.134138
H 3.789742 -2.786609 0.728588
H -0.430771 -3.022182 -0.450792
H 0.014177 -2.618083 1.232703
H 0.475900 -4.203470 0.543434
H 3.067053 -2.870154 -1.911529
H 2.113181 -4.307394 -1.446645
H 1.317458 -2.932180 -2.276327
H 1.406180 3.661470 1.230611
H 4.312373 -1.626443 -0.787563
H 3.556501 3.085269 0.690426
H 6.237077 -0.132565 -0.429147
H 5.889055 2.239713 0.357066


