%chk=000039317.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039317

0 1
 O   -5.602900      0.2046000      -1.474900    
 O   -1.791100       1.816600       1.149300    
 O    2.538800      -2.808300     -0.2084000    
 N   -3.463100     -0.1322000      0.3715000    
 C   -2.474300     -0.9469000       1.074600    
 C   -3.240000     -0.1782000      -1.080100    
 C   -4.826900     -0.5802000      0.6859000    
 C   -1.089400     -0.4558000      0.8024000    
 C   -4.290400      0.6693000      -1.792300    
 C   -5.840200      0.2759000     -6.8499997E-02
 C    1.171700     -0.8826000      0.2577000    
 C    1.480900      0.4879000      0.3015000    
 C  -9.1499999E-02  -1.382600      0.5010000    
 C    2.884700      0.6674000      1.9999999E-04
 C  -0.8036000      0.9222000      0.8516000    
 C    3.470000     -0.5885000     -0.2355000    
 C   0.4875000       1.403300      0.6006000    
 C    2.412800      -1.610100     -8.2000002E-02
 C    3.661900       1.809500     -7.9800002E-02
 C    4.803600     -0.7562000     -0.5492000    
 C    5.018600       1.667100     -0.3967000    
 C    5.582800      0.3979000     -0.6288000    
 H   -2.574800      -2.002500      0.7881000    
 H   -2.640800     -0.8959000       2.158600    
 H   -3.309800      -1.213600      -1.439900    
 H   -2.260800      0.2111000      -1.374600    
 H   -5.017600     -0.4915000       1.761500    
 H   -4.957300      -1.632700      0.4026000    
 H   -4.202500       1.730100      -1.527000    
 H   -4.163200      0.5874000      -2.876600    
 H   -6.853200     -9.4999999E-02  0.1173000    
 H   -5.805800       1.323200      0.2558000    
 H  -0.2906000      -2.447400      0.4591000    
 H   0.6957000       2.467700      0.6416000    
 H    3.244700       2.795400      9.5799997E-02
 H    5.233300      -1.734800     -0.7269000    
 H    5.648400       2.550600     -0.4650000    
 H    6.639000      0.3195000     -0.8727000    
 H   -2.592900       1.358300       1.445500    


%chk=000039317-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039317

0 1
O -5.925056 0.457621 -1.202269
O -1.877693 1.671990 0.784175
O 2.806782 -2.914208 -0.194425
N -3.509130 -0.221955 0.263188
C -2.460109 -1.133627 0.846768
C -3.567243 -0.308476 -1.233340
C -4.864226 -0.450407 0.852162
C -1.057535 -0.616483 0.560418
C -4.588444 0.704940 -1.770568
C -5.865369 0.558684 0.263879
C 1.319662 -0.964177 0.174023
C 1.553665 0.446384 0.242847
C 0.026269 -1.490541 0.329794
C 3.009820 0.686445 0.045723
C -0.819957 0.803428 0.604874
C 3.650186 -0.575660 -0.141900
C 0.493827 1.335316 0.453800
C 2.611354 -1.669455 -0.070389
C 3.764672 1.871670 0.020537
C 5.032660 -0.674157 -0.353452
C 5.166791 1.777539 -0.193828
C 5.796369 0.522707 -0.378739
H -2.582342 -2.173881 0.476450
H -2.639803 -1.146378 1.941208
H -3.858732 -1.336160 -1.541843
H -2.562093 -0.093319 -1.637916
H -4.800169 -0.321802 1.948716
H -5.207404 -1.486781 0.638050
H -4.259711 1.739160 -1.529992
H -4.705873 0.603339 -2.861095
H -6.886837 0.347484 0.619092
H -5.578654 1.591258 0.560145
H -0.127914 -2.575430 0.282407
H 0.624334 2.420462 0.501564
H 3.293975 2.850814 0.162304
H 5.500351 -1.654172 -0.494753
H 5.770997 2.691558 -0.216356
H 6.878638 0.478907 -0.542165
H -2.764358 1.077363 0.634210


