%chk=000058868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058868

0 1
 O  -0.4307000      0.7343000     -0.3824000    
 O    1.748500      -1.337600       1.538200    
 O   0.4503000      0.8868000       1.735300    
 N   -4.484400       1.750100     -0.1460000    
 C   -1.573700       1.510400     -4.6100002E-02
 C   -2.489400      0.6831000      0.8506000    
 C   -2.312800       1.927800      -1.314200    
 C   -3.810200       1.405300       1.113900    
 C   -3.638800       2.612200     -0.9843000    
 C    1.039000      -1.023300      0.3303000    
 C   -5.768600       2.397400      0.1213000    
 C   0.3305000      0.2951000      0.6682000    
 C    2.102200     -0.8131000     -0.7811000    
 C   3.0000000E-03  -2.105000      2.9400000E-02
 C    3.129100      0.2594000     -0.4825000    
 C  -0.9041000      -2.442800       1.009100    
 C   1.3300000E-02  -2.704000      -1.210500    
 C    2.876600       1.562400     -0.8729000    
 C    4.296300     -8.8500001E-02  0.1737000    
 C   -1.849700      -3.430800      0.7347000    
 C  -0.9323000      -3.691900      -1.485100    
 C   -1.863800      -4.055300     -0.5123000    
 C    3.822400       2.550200     -0.5983000    
 C    5.242100      0.8992000      0.4486000    
 C    5.005100       2.218500      6.2500000E-02
 H   -1.246500       2.416800      0.4805000    
 H   -2.020600      0.4557000       1.813500    
 H   -2.696400     -0.2837000      0.3748000    
 H   -2.489500       1.047600      -1.947100    
 H   -1.678900       2.597100      -1.908200    
 H   -4.450900      0.7408000       1.706300    
 H   -3.625100       2.303800       1.717400    
 H   -3.444300       3.571700     -0.4872000    
 H   -4.153300       2.832300      -1.927500    
 H   -6.419400       1.735400      0.7033000    
 H   -6.295200       2.609300     -0.8159000    
 H   -5.651800       3.337900      0.6718000    
 H    2.647800      -1.750900     -0.9587000    
 H    1.625200     -0.5465000      -1.734000    
 H    1.118700      -1.540500       2.248400    
 H  -0.9189000      -1.963600       1.982500    
 H   0.7117000      -2.462300      -2.001600    
 H    1.963500       1.832700      -1.394800    
 H    4.490700      -1.112700      0.4781000    
 H   -2.577000      -3.711500       1.490900    
 H  -0.9444000      -4.178700      -2.456000    
 H   -2.600700      -4.823900     -0.7264000    
 H    3.638700       3.577100     -0.9002000    
 H    6.163200      0.6412000      0.9630000    
 H    5.741800       2.987400      0.2761000    


%chk=000058868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058868

0 1
O -0.659007 0.223121 -0.095554
O 1.870789 -1.714098 1.688591
O -0.034978 0.086632 2.144806
N -4.159808 2.626377 -0.395762
C -1.626361 1.339690 0.220750
C -2.955287 0.755558 0.724699
C -1.814521 2.132023 -1.075841
C -3.986251 1.894889 0.881515
C -2.885207 3.223864 -0.857572
C 1.005027 -1.458901 0.538583
C -5.254056 3.614817 -0.334985
C 0.051938 -0.306658 0.952004
C 1.912237 -1.056455 -0.671948
C 0.184534 -2.729325 0.199389
C 2.661901 0.256306 -0.502727
C 0.422194 -3.922033 0.923552
C -0.772327 -2.734618 -0.848442
C 2.304412 1.392363 -1.274350
C 3.738046 0.372076 0.416627
C -0.289172 -5.102369 0.609616
C -1.482320 -3.914886 -1.159613
C -1.244379 -5.104270 -0.431909
C 3.000738 2.614593 -1.134606
C 4.432631 1.593711 0.561614
C 4.067886 2.719812 -0.213131
H -1.157668 1.960028 1.008940
H -2.808270 0.243160 1.691821
H -3.333845 0.023624 -0.011836
H -2.150682 1.448875 -1.877001
H -0.858592 2.592820 -1.384932
H -4.961716 1.469248 1.179692
H -3.659019 2.582558 1.706969
H -2.497992 3.982719 -0.125317
H -3.069253 3.754329 -1.809664
H -6.196590 3.109185 -0.059101
H -5.393439 4.076975 -1.328678
H -5.072750 4.435290 0.405219
H 2.618388 -1.899297 -0.792634
H 1.281575 -1.020559 -1.576414
H 1.491533 -1.206089 2.460813
H 1.170747 -3.905995 1.720340
H -0.975279 -1.816174 -1.408918
H 1.478198 1.312954 -1.991924
H 4.016919 -0.499659 1.016735
H -0.094739 -6.019579 1.177234
H -2.221551 -3.905684 -1.968745
H -1.796197 -6.019508 -0.674522
H 2.716613 3.479274 -1.745750
H 5.261511 1.666615 1.275189
H 4.611740 3.665073 -0.103723


