%chk=000154363.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154363

0 1
 O   0.9161000     -0.3591000     -0.1919000    
 O   -2.800800      -1.729400      -1.347900    
 N   -1.807700      5.3800002E-02 -0.2473000    
 N   -4.913500       2.057400      0.2128000    
 C   0.5246000      -1.656800     -5.1100001E-02
 C    1.602300      -2.444800      0.3398000    
 C  -0.7637000      -2.144400     -0.2632000    
 C   -3.908300       1.049200      0.5231000    
 C   -2.830600       1.028700     -0.5509000    
 C    2.240500     -0.3121000      0.1071000    
 C    2.709800      -1.561900      0.4391000    
 C   -1.856000      -1.282000     -0.6696000    
 C    1.391800      -3.820700      0.5368000    
 C  -0.9504000      -3.515300     -6.1500002E-02
 C    2.844500      0.9869000      1.5000000E-02
 C   0.1063000      -4.340500      0.3317000    
 C   -4.299500       3.382400      0.1041000    
 C   -5.965500       2.068500       1.231200    
 C    3.927000       1.319600      0.8356000    
 C    2.355300       1.929300     -0.8950000    
 C    4.513900       2.581900      0.7474000    
 C    2.942300       3.191600     -0.9833000    
 C    4.021600       3.517800     -0.1620000    
 H   -4.378600      5.8499999E-02  0.5710000    
 H   -3.451200       1.227900       1.506000    
 H   -2.288200       1.975300     -0.6236000    
 H   -3.260600      0.8003000      -1.532800    
 H    3.723300      -1.816900      0.7173000    
 H   -1.032700      0.3643000      0.3308000    
 H    2.203300      -4.474300      0.8423000    
 H   -1.931700      -3.962800     -0.2051000    
 H  -6.9899999E-02  -5.402600      0.4818000    
 H   -3.667100       3.624400      0.9660000    
 H   -5.074000       4.156300      3.5000000E-02
 H   -3.717400       3.489000     -0.8164000    
 H   -5.578700       2.331700       2.222500    
 H   -6.446500       1.086200       1.298000    
 H   -6.752100       2.783500      0.9657000    
 H    4.326500      0.6095000       1.556000    
 H    1.519600       1.700700      -1.552500    
 H    5.353600       2.836600       1.387400    
 H    2.560400       3.920200      -1.692500    
 H    4.478600       4.500600     -0.2309000    


%chk=000154363-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154363

0 1
O 0.887087 -0.332005 -0.032476
O -3.194909 -1.960573 -0.456749
N -1.885856 -0.038220 -0.539776
N -4.923586 2.161033 0.134300
C 0.498004 -1.688728 0.071298
C 1.645225 -2.487229 0.349187
C -0.808587 -2.197164 -0.071877
C -3.819870 1.225663 0.439518
C -3.027742 0.840449 -0.837376
C 2.305808 -0.294310 0.186851
C 2.773141 -1.578947 0.416350
C -2.055202 -1.399067 -0.366211
C 1.486350 -3.888266 0.495142
C -0.929429 -3.601862 0.082253
C 2.943124 1.019499 0.129974
C 0.189493 -4.428729 0.358216
C -4.475894 3.555355 -0.045492
C -6.050775 2.061083 1.082709
C 4.347658 1.141351 0.332709
C 2.184272 2.195915 -0.125205
C 4.970920 2.402902 0.281860
C 2.813148 3.456669 -0.175463
C 4.208182 3.568451 0.027598
H -4.246617 0.294991 0.852918
H -3.112845 1.637649 1.205272
H -2.645095 1.741213 -1.349894
H -3.715908 0.316118 -1.521317
H 3.807291 -1.854090 0.613381
H -0.949123 0.361094 -0.437405
H 2.345168 -4.532848 0.708349
H -1.935347 -4.021626 -0.023229
H 0.038889 -5.507882 0.466167
H -4.057719 4.006301 0.891909
H -5.326506 4.179057 -0.374373
H -3.698510 3.614938 -0.827266
H -5.789783 2.380584 2.124130
H -6.410723 1.018394 1.123256
H -6.885371 2.696494 0.733806
H 4.950735 0.248257 0.529834
H 1.104642 2.115084 -0.282123
H 6.052150 2.479921 0.439873
H 2.215227 4.353043 -0.372995
H 4.695484 4.548537 -0.011635


