%chk=000047264.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047264

0 1
 O   -5.434000     -0.9689000      0.9576000    
 O   -5.753400      0.2616000     -0.9266000    
 N   -2.884300     -0.7307000      0.8991000    
 C   0.6712000      0.1393000      4.1999999E-03
 C   0.9710000       1.596600      0.1093000    
 C    1.330800     -0.6394000      -1.244400    
 C    1.235700     -0.7948000       1.191200    
 C  -0.9213000      6.1999999E-02 -6.3299999E-02
 C    1.783200       2.212000     -0.8433000    
 C    2.668300     -0.6190000      -1.294900    
 C    1.917800     -0.1580000       2.150900    
 C   0.4390000       2.344200       1.159900    
 C   0.4652000      -1.216900      -2.086300    
 C   0.9568000      -2.099200       1.080600    
 C   -1.518100      0.6924000      -1.081200    
 C   -1.536500     -0.6255000      0.8985000    
 C    2.063400       3.574900     -0.7453000    
 C    3.239000      -1.292700      -2.374700    
 C    2.405900     -0.9658000       3.177900    
 C   0.7192000       3.707200       1.257900    
 C    1.036100      -1.890700      -3.166000    
 C    1.444900      -2.907000       2.107700    
 C   -2.905500      0.6069000      -1.114700    
 C    1.531500       4.322400      0.3052000    
 C    2.423000      -1.928600      -3.310100    
 C    2.169500      -2.340200       3.156300    
 C   -3.535400     -0.1101000     -0.1102000    
 C   -4.983000     -0.2320000     -9.5200002E-02
 H    2.178700       1.720300      -1.722000    
 H    3.315400     -0.1417000     -0.5692000    
 H    2.172700      0.8887000       2.194300    
 H  -0.1973000       1.896000       1.918600    
 H  -0.6054000      -1.305000      -2.012400    
 H   0.3898000      -2.571300      0.2891000    
 H   -1.001100       1.253800      -1.850200    
 H   -1.113600      -1.073600       1.782200    
 H    2.683400       4.058400      -1.494800    
 H    4.319100      -1.325800      -2.484800    
 H    2.979800     -0.5271000       3.989100    
 H   0.3044000       4.289700       2.075300    
 H   0.4027000      -2.401600      -3.885700    
 H    1.259300      -3.977100       2.092500    
 H   -3.458700       1.094900      -1.910000    
 H    1.746600       5.384400      0.3795000    
 H    2.867500      -2.457500      -4.148000    
 H    2.551300      -2.969500       3.954900    
 H   -6.412100      -1.044700      0.9573000    


%chk=000047264-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047264

0 1
O -5.806991 -0.147413 0.963230
O -5.807346 0.529057 -1.254836
N -3.074520 -0.276863 1.005064
C 0.668193 -0.001941 0.010553
C 0.940259 1.527290 0.172486
C 1.372381 -0.622544 -1.234701
C 1.223242 -0.853926 1.193933
C -0.881522 -0.046470 -0.092295
C 1.312602 2.345514 -0.923179
C 2.748125 -0.352549 -1.463150
C 2.296547 -0.407191 2.003845
C 0.649612 2.159681 1.411070
C 0.735449 -1.578648 -2.064543
C 0.757985 -2.183524 1.375531
C -1.535793 0.375399 -1.280039
C -1.715061 -0.345499 1.020662
C 1.423999 3.747096 -0.778538
C 3.453035 -0.989828 -2.504331
C 2.866337 -1.250023 2.984945
C 0.761472 3.557198 1.559455
C 1.439199 -2.221652 -3.108300
C 1.319651 -3.025540 2.356516
C -2.938672 0.445525 -1.324087
C 1.153994 4.361235 0.464033
C 2.800549 -1.927538 -3.338580
C 2.378218 -2.561738 3.171881
C -3.674549 0.106551 -0.160407
C -5.168423 0.188978 -0.225655
H 1.520158 1.892767 -1.897974
H 3.277553 0.350878 -0.811139
H 2.695548 0.603668 1.872810
H 0.320437 1.556964 2.264945
H -0.315539 -1.837487 -1.899576
H -0.042555 -2.573091 0.736222
H -0.947949 0.658779 -2.158534
H -1.276566 -0.652561 1.975145
H 1.716428 4.357178 -1.640633
H 4.513593 -0.761575 -2.658848
H 3.694579 -0.879488 3.599485
H 0.532452 4.018857 2.526386
H 0.922050 -2.956638 -3.735368
H 0.936939 -4.044877 2.478979
H -3.476534 0.762156 -2.221807
H 1.237539 5.447880 0.575569
H 3.347175 -2.426426 -4.146367
H 2.818831 -3.214686 3.933285
H -6.789610 -0.061633 0.822659


