%chk=000154603.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154603

1 1
 O   -3.582100       1.253200     -9.9999997E-05
 O   -4.402200     -0.8886000      8.9999998E-04
 N    1.746200       1.505400     -3.9999999E-04
 N   -1.008000      0.3937000     -8.9999998E-04
 C   0.1960000     -0.2737000     -5.0000002E-04
 C    1.518600      0.1842000     -1.9999999E-04
 C  -9.4200000E-02  -1.642000     -1.9999999E-04
 C    2.584200     -0.7325000      3.0000001E-04
 C   -1.511600      -1.768200     -6.0000003E-04
 C   -2.044900     -0.5003000     -8.9999998E-04
 C   0.9726000      -2.566100      1.9999999E-04
 C    2.297800      -2.103900      5.0000002E-04
 C    3.885900     -0.2138000      6.9999998E-04
 C    2.988400       2.010300       0.000000    
 C   0.7088000       2.538400     -5.0000002E-04
 C    4.089100       1.164700      6.0000003E-04
 C   -3.421700     -0.1183000     -3.0000001E-04
 C   -4.922700       1.757400      1.4000000E-03
 H   -1.186100       1.382500     -8.9999998E-04
 H   -2.075200      -2.691900     -3.9999999E-04
 H   0.7753000      -3.634800      5.0000002E-04
 H    3.104600      -2.834100      8.9999998E-04
 H    4.747300     -0.8773000      1.2000001E-03
 H    3.122400       3.086500     -9.9999997E-05
 H   0.1355000       2.464300      0.9269000    
 H    1.148000       3.542200     -3.9999999E-04
 H   0.1357000       2.464300     -0.9280000    
 H    5.095100       1.571300      1.0000000E-03
 H   -5.450200       1.427000     -0.8981000    
 H   -4.875400       2.849500      1.4000000E-03
 H   -5.448100       1.427000      0.9021000    


%chk=000154603-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154603

1 1
O -3.653180 1.200770 0.000584
O -4.488207 -0.996139 0.001103
N 1.851034 1.637589 0.000342
N -1.098607 0.402705 0.001193
C 0.153134 -0.218845 0.000638
C 1.491089 0.275975 0.000247
C -0.101663 -1.645689 0.000518
C 2.567982 -0.708594 -0.000297
C -1.518321 -1.839975 0.000979
C -2.102647 -0.567987 0.001483
C 0.973474 -2.587846 -0.000005
C 2.278147 -2.120132 -0.000413
C 3.915559 -0.258384 -0.000714
C 3.164279 2.037066 -0.000068
C 0.803915 2.697089 0.000891
C 4.217695 1.112662 -0.000602
C -3.532362 -0.194863 0.002179
C -5.047376 1.727811 -0.000905
H -1.338706 1.392350 0.001494
H -2.062279 -2.781968 0.001036
H 0.758826 -3.660300 -0.000091
H 3.122093 -2.816667 -0.000826
H 4.721030 -0.999390 -0.001121
H 3.342056 3.114049 0.000044
H 0.186319 2.618290 0.911246
H 1.286100 3.684152 0.000910
H 0.185706 2.618624 -0.909076
H 5.246110 1.477784 -0.000917
H -5.576516 1.377029 -0.901424
H -4.937922 2.820262 -0.002021
H -5.577661 1.378971 0.899696


