%chk=000049088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049088

0 1
 O    1.704900      -1.491400     -0.2465000    
 O    3.543700      -2.710700      0.4104000    
 N   -2.507300     -0.9897000     -0.1151000    
 C   -2.977100      0.3048000      0.4302000    
 C   -2.087800       1.482900      7.7000000E-03
 C   -4.415500      0.5950000     -4.4100001E-02
 C   -5.372100     -0.5342000      0.3160000    
 C   -3.401800      -2.091100      0.2832000    
 C   -4.833300      -1.860900     -0.1957000    
 C   -2.553800       2.801900      0.6561000    
 C   -2.066700       1.651800      -1.524600    
 C   -1.137900      -1.309700      0.2982000    
 C  -0.5083000      -2.299700     -0.6764000    
 C   -2.533200       2.782400       2.178300    
 C   -1.199700       2.806700      -2.006700    
 C   0.9093000      -2.668500     -0.2606000    
 C    3.009700      -1.654800      0.1084000    
 C    3.728700     -0.3559000      8.5500002E-02
 C    5.081900     -0.3019000      0.4196000    
 C    3.051300      0.8102000     -0.2708000    
 C    5.757600      0.9182000      0.3979000    
 C    3.727100       2.030300     -0.2927000    
 C    5.080300       2.084200      4.1700002E-02
 H   -2.978200      0.2234000       1.524800    
 H   -1.058300       1.356000      0.3534000    
 H   -4.817400       1.504900      0.4103000    
 H   -4.478700      0.7139000      -1.129400    
 H   -5.493300     -0.5805000       1.405300    
 H   -6.363000     -0.3412000     -0.1100000    
 H   -3.076200      -3.043500     -0.1464000    
 H   -3.401600      -2.215500       1.374600    
 H   -4.862200      -1.872800      -1.292600    
 H   -5.476000      -2.678400      0.1500000    
 H   -1.858700       3.600900      0.3712000    
 H   -3.532200       3.130600      0.2924000    
 H   -1.690000      0.7341000      -1.991000    
 H   -3.062100       1.834900      -1.936900    
 H  -0.4832000     -0.4399000      0.2997000    
 H   -1.113700      -1.700500       1.324000    
 H   -1.084700      -3.226600     -0.7501000    
 H  -0.4822000      -1.847700      -1.676400    
 H   -3.327700       2.150400       2.584900    
 H   -1.571000       2.424300       2.557700    
 H   -2.692900       3.793700       2.567100    
 H   -1.074800       2.747900      -3.093300    
 H   -1.653800       3.778200      -1.790900    
 H  -0.2040000       2.771300      -1.553500    
 H   0.9052000      -3.127000      0.7353000    
 H    1.326200      -3.382200     -0.9806000    
 H    5.627900      -1.198800      0.6997000    
 H    1.998100      0.8146000     -0.5379000    
 H    6.811300      0.9605000      0.6582000    
 H    3.199800       2.938600     -0.5699000    
 H    5.606400       3.034200      2.4700001E-02


%chk=000049088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049088

0 1
O 1.696344 -1.474246 -0.289943
O 3.488750 -2.444424 0.840636
N -2.578617 -0.970237 -0.116250
C -3.124060 0.308442 0.470828
C -2.146089 1.521252 0.306238
C -4.510654 0.607030 -0.160005
C -5.511511 -0.550269 0.032523
C -3.526473 -2.100283 0.102601
C -4.905308 -1.849457 -0.530776
C -2.697146 2.825598 0.954013
C -1.744974 1.751224 -1.178810
C -1.224303 -1.332513 0.382276
C -0.540513 -2.431071 -0.462626
C -3.061788 2.712863 2.451913
C -0.502299 2.651045 -1.360625
C 0.894860 -2.704603 -0.013607
C 3.008605 -1.479584 0.193085
C 3.740877 -0.225218 -0.148658
C 5.064042 -0.072686 0.341650
C 3.155812 0.798607 -0.938141
C 5.794655 1.096517 0.047411
C 3.891228 1.966522 -1.230831
C 5.209479 2.118482 -0.738544
H -3.281976 0.154368 1.572466
H -1.218821 1.283751 0.870542
H -4.918997 1.532850 0.284966
H -4.375231 0.790184 -1.243371
H -5.727144 -0.682448 1.113480
H -6.473209 -0.314598 -0.462106
H -3.088924 -3.015197 -0.333066
H -3.660706 -2.290782 1.202426
H -4.788587 -1.762334 -1.628380
H -5.563584 -2.716845 -0.329593
H -1.921089 3.608218 0.844451
H -3.574227 3.187093 0.381231
H -1.562747 0.764556 -1.644928
H -2.600273 2.198039 -1.724935
H -0.575305 -0.444989 0.335807
H -1.255346 -1.659440 1.456398
H -1.085298 -3.392045 -0.390456
H -0.553284 -2.127689 -1.525904
H -3.930667 2.050908 2.619905
H -2.213807 2.307845 3.036703
H -3.314808 3.705001 2.869529
H -0.205893 2.704465 -2.425121
H -0.682893 3.685933 -1.016779
H 0.358846 2.255940 -0.787410
H 0.964498 -2.931066 1.066820
H 1.352126 -3.541723 -0.571670
H 5.494507 -0.878073 0.945930
H 2.138662 0.665918 -1.316960
H 6.815423 1.213237 0.427099
H 3.438764 2.756597 -1.840079
H 5.778075 3.027036 -0.966952


