%chk=000055342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055342

0 1
 O   -1.152500      -2.077800      0.3403000    
 O  -0.4083000      -1.879000      -1.840300    
 N    2.861000      0.4363000     -0.1648000    
 C  -0.7930000      6.5899998E-02 -0.5533000    
 C   0.4397000      0.6834000      2.7400000E-02
 C   0.1060000      0.9035000      -1.414600    
 C    1.631800     -0.1514000      0.3664000    
 C   -2.131900      0.6144000     -0.2044000    
 C  -0.7577000      -1.399000     -0.7714000    
 C    3.040300       1.794900      0.3462000    
 C    4.014500     -0.3950000      0.1773000    
 C   -2.524600      0.7033000       1.132100    
 C   -2.998200       1.038900      -1.213200    
 C    1.885600       2.672000     -0.1274000    
 C    3.128100       1.779600       1.869700    
 C    3.804100      -1.804300     -0.3670000    
 C    5.294800      0.2220000     -0.3789000    
 C   -3.780300       1.215000       1.458900    
 C   -4.253900       1.550800     -0.8862000    
 C   -1.150400      -3.504000      0.2218000    
 C   -4.644900       1.638800      0.4499000    
 C   -1.610300      -4.108300       1.531500    
 H   0.1527000       1.301000      0.8687000    
 H   0.7116000      0.4203000      -2.173600    
 H  -0.2659000       1.872600      -1.731500    
 H    1.662500     -0.3519000       1.444000    
 H    1.495500      -1.129400     -9.4300002E-02
 H    3.941300       2.260300     -6.6000000E-02
 H    4.142300     -0.5224000       1.258300    
 H   -1.866200      0.3712000       1.930600    
 H   -2.710700      0.9708000      -2.259200    
 H    1.674800       2.588800      -1.193900    
 H    2.311400       3.692600     -0.1101000    
 H    1.043100       2.853200      0.5384000    
 H    3.256200       2.813100       2.218700    
 H    2.227400       1.419000       2.374000    
 H    3.995100       1.241100       2.260100    
 H    3.089200      -2.385200      0.2252000    
 H    4.742300      -2.371300     -0.3319000    
 H    3.477300      -1.796000      -1.413500    
 H    6.118100     -0.5010000     -0.3349000    
 H    5.183500      0.5148000      -1.429400    
 H    5.632300       1.089200      0.1972000    
 H   -4.085700       1.282000       2.499100    
 H   -4.927900       1.879300      -1.671900    
 H   -1.829800      -3.804400     -0.5837000    
 H  -0.1365000      -3.848900     -9.6000005E-03
 H   -5.622900       2.036600      0.7043000    
 H   -2.615700      -3.756800       1.785700    
 H  -0.9502000      -3.801600       2.349700    
 H   -1.620800      -5.200400       1.476200    


%chk=000055342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055342

0 1
O -1.704542 -2.215395 0.836075
O 0.341277 -2.719995 -0.148382
N 2.985298 0.870395 -0.025709
C -0.712226 -0.537074 -0.570579
C 0.593794 0.336780 -0.542946
C 0.164367 -0.328594 -1.835417
C 1.848014 -0.056267 0.245696
C -2.044585 0.168737 -0.477917
C -0.608122 -1.911051 0.029817
C 3.288531 1.807912 1.102462
C 4.171574 0.201378 -0.656976
C -2.336540 1.037615 0.602457
C -3.034074 -0.041307 -1.470779
C 2.063704 2.682710 1.451616
C 3.859294 1.116271 2.376983
C 3.780572 -0.412448 -2.022296
C 5.346829 1.181517 -0.877804
C -3.589770 1.683041 0.691139
C -4.289077 0.601507 -1.386470
C -1.690895 -3.568537 1.472339
C -4.571908 1.466056 -0.303325
C -2.986033 -3.687701 2.268912
H 0.371608 1.407827 -0.477553
H 0.727267 -1.204794 -2.170607
H -0.260686 0.293770 -2.628728
H 1.595452 -0.047250 1.326992
H 2.125289 -1.099181 0.014256
H 4.061166 2.501174 0.724401
H 4.543363 -0.633401 -0.006577
H -1.578160 1.204916 1.376778
H -2.815614 -0.710533 -2.311835
H 1.695548 3.206380 0.551704
H 2.346262 3.439506 2.206368
H 1.232997 2.087912 1.875360
H 4.136300 1.871814 3.135932
H 3.118400 0.435926 2.837588
H 4.762448 0.524242 2.140278
H 3.000520 -1.185790 -1.927233
H 4.664404 -0.887104 -2.487345
H 3.403061 0.379134 -2.694884
H 6.132908 0.677369 -1.468450
H 5.006233 2.067913 -1.444900
H 5.811746 1.520919 0.064342
H -3.801488 2.352595 1.532745
H -5.044378 0.429903 -2.162065
H -1.610497 -4.328012 0.673439
H -0.790073 -3.645528 2.108318
H -5.544204 1.967470 -0.237190
H -3.863747 -3.584752 1.608488
H -3.044398 -2.905819 3.045261
H -3.033010 -4.675560 2.762921


