%chk=000177280.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177280

0 1
 O    3.313400     -0.8402000      0.1858000    
 O  -0.8087000     -0.8894000      -2.943500    
 O   -3.070100      0.8975000     -0.2695000    
 O    4.390000      0.4339000      -1.406400    
 O   -3.041400       3.169300      6.5600000E-02
 N    3.490100       1.485400       1.688800    
 C   0.5405000     -0.7443000     -0.9001000    
 C   0.4030000      -2.190500     -0.3645000    
 C    1.832500     -0.8174000      -1.722000    
 C    1.845400      -2.705000     -0.1930000    
 C    2.751500      -1.654100     -0.8396000    
 C  -0.7110000     -0.2630000      -1.664100    
 C  -0.3891000      -2.193700      0.9142000    
 C  -0.6824000       1.222500      -1.899000    
 C   -1.668600      -2.589100      0.9906000    
 C   -2.523700      -2.341500       2.200500    
 C    4.123200      0.1800000     -0.2396000    
 C   -3.118300     -0.9266000       2.165500    
 C   -1.452100       2.198400      -1.391000    
 C   -4.196400     -0.7383000       1.084700    
 C    4.627500      0.9358000      0.9643000    
 C   -4.238700      0.7069000      0.5659000    
 C   -2.593400       2.150000     -0.4438000    
 C   -5.482600      0.9372000     -0.2856000    
 C    2.725100       2.397500      0.8356000    
 C    3.934100       2.178500       2.900200    
 H   0.7041000     -6.7800000E-02 -4.7400001E-02
 H  -9.3900003E-02  -2.818200      -1.116900    
 H    1.660600      -1.351700      -2.664200    
 H    2.175400      0.1879000      -1.969000    
 H    2.112500      -2.885300      0.8544000    
 H    1.941600      -3.657500     -0.7281000    
 H    3.563600      -2.127400      -1.402900    
 H   -1.597900     -0.5677000      -1.112600    
 H   7.4500002E-02  -1.734300       1.784800    
 H   0.1040000       1.552800      -2.579200    
 H   -2.157800      -3.002700      0.1127000    
 H   -1.643500     -0.6017000      -3.351600    
 H   -3.317700      -3.095000       2.251800    
 H   -1.921900      -2.456200       3.110500    
 H   -3.567400     -0.7074000       3.142400    
 H   -2.308100     -0.1979000       2.034600    
 H   -1.206600       3.215700      -1.695900    
 H   -4.012500      -1.409500      0.2378000    
 H   -5.166500      -1.018000       1.513000    
 H    5.317100       1.717700      0.6226000    
 H    5.202000      0.2344000       1.581000    
 H   -4.223500       1.407600       1.409700    
 H   -6.395900      0.7705000      0.2935000    
 H   -5.503500       1.960700     -0.6741000    
 H   -5.490500      0.2712000      -1.155500    
 H    1.890700       2.831700       1.399100    
 H    2.267700       1.886300     -1.6600000E-02
 H    3.340200       3.222300      0.4568000    
 H    4.589900       3.027300       2.674200    
 H    4.474900       1.490200       3.559200    
 H    3.074100       2.547400       3.470100    


%chk=000177280-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177280

0 1
O 3.206155 -0.778232 0.324443
O -0.920929 -0.740850 -2.849826
O -3.491364 0.645543 -0.187102
O 4.845644 0.152198 -1.051715
O -3.785209 2.924383 0.227107
N 4.302376 2.233128 1.203512
C 0.356299 -0.652384 -0.782602
C 0.257094 -2.175998 -0.396780
C 1.660127 -0.568684 -1.611205
C 1.745927 -2.642514 -0.276134
C 2.621746 -1.510968 -0.864497
C -0.925665 -0.154139 -1.479399
C -0.576355 -2.357057 0.848958
C -0.972684 1.353626 -1.598362
C -1.872293 -2.766352 0.873672
C -2.766736 -2.682323 2.098648
C 4.297706 0.048631 0.072564
C -3.520428 -1.316920 2.150414
C -1.892159 2.232735 -1.099399
C -4.574920 -1.134799 1.027252
C 4.702294 0.810082 1.333939
C -4.753464 0.327742 0.585803
C -3.120902 1.990688 -0.296048
C -5.965841 0.566103 -0.323148
C 5.197167 3.009748 0.318791
C 4.090576 2.884763 2.511259
H 0.483101 -0.063005 0.148105
H -0.228211 -2.693749 -1.246875
H 1.474009 -0.960927 -2.627581
H 2.077323 0.447458 -1.705964
H 2.032538 -2.817967 0.775744
H 1.911000 -3.587517 -0.822563
H 3.469027 -1.849366 -1.484235
H -1.801200 -0.521340 -0.919239
H -0.103875 -2.025289 1.789840
H -0.142817 1.779854 -2.183033
H -2.335431 -3.095806 -0.069742
H -1.789134 -0.530362 -3.278146
H -3.500499 -3.512704 2.108777
H -2.152610 -2.779726 3.014871
H -4.008561 -1.200978 3.138582
H -2.761808 -0.515479 2.068231
H -1.740992 3.304891 -1.275259
H -4.290298 -1.717905 0.130740
H -5.558184 -1.523188 1.357219
H 5.802484 0.685002 1.489862
H 4.174305 0.367298 2.193512
H -4.784145 1.016960 1.451287
H -6.897635 0.342867 0.228376
H -6.008429 1.617472 -0.652491
H -5.924777 -0.088917 -1.212019
H 4.766189 4.013196 0.153908
H 5.291797 2.502967 -0.654811
H 6.224244 3.135103 0.747087
H 5.021551 2.961855 3.128951
H 3.334249 2.328109 3.092334
H 3.708127 3.908246 2.348587


