%chk=000100481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100481

0 1
 O   2.6200000E-02  -1.837000      0.1556000    
 O   -4.314900       1.436100      0.4752000    
 O    4.285400       1.406500     -0.6358000    
 O   -3.867100      0.8263000      -1.651500    
 O    3.952200      0.8821000       1.534200    
 N   -1.074300      0.1540000      0.5792000    
 N    1.043100      0.1305000     -0.5149000    
 C   -1.175700       1.602300      0.4219000    
 C   0.9974000       1.577700     -0.7038000    
 C   -2.236600     -0.5123000       1.151900    
 C    2.172200     -0.5610000      -1.122600    
 C   0.1903000       2.250100      0.3841000    
 C   -3.374900     -0.7745000      0.1343000    
 C    3.363500     -0.7864000     -0.1581000    
 C  -1.7000000E-03 -0.6041000      7.5300001E-02
 C   -2.872400      -1.708800     -0.9793000    
 C   -4.536800      -1.438900      0.8932000    
 C    2.921100      -1.674800       1.016700    
 C    4.482400      -1.483300     -0.9516000    
 C   -3.871900      0.5534000     -0.4567000    
 C    3.892600      0.5623000      0.3525000    
 H   -1.751000       2.024400       1.252100    
 H   -1.690300       1.814800     -0.5186000    
 H   0.5442000       1.756800      -1.686300    
 H    1.997000       2.007300     -0.7242000    
 H   -1.911800      -1.468300       1.582400    
 H   -2.589300      9.2699997E-02   1.996700    
 H    1.821900      -1.532400      -1.495400    
 H    2.481100      8.2999999E-03  -2.008900    
 H   0.1025000       3.324500      0.1922000    
 H   0.6913000       2.122700       1.351700    
 H   -2.462600      -2.638300     -0.5699000    
 H   -3.696200      -1.983000      -1.649400    
 H   -2.110300      -1.234000      -1.605600    
 H   -4.883500     -0.8208000       1.729000    
 H   -4.240500      -2.412800       1.298500    
 H   -5.395300      -1.597600      0.2303000    
 H    2.494100      -2.620900      0.6681000    
 H    3.780300      -1.922200       1.652000    
 H    2.194900      -1.174000       1.665100    
 H    4.784400     -0.8993000      -1.828400    
 H    4.163900      -2.471400      -1.302000    
 H    5.375100      -1.618700     -0.3301000    
 H   -4.615000       2.276900      6.8700001E-02
 H    4.609800       2.260800     -0.2795000    


%chk=000100481-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100481

0 1
O 0.011914 -1.864618 0.110661
O -4.611938 1.170240 1.012554
O 4.667066 1.080236 -1.086821
O -4.434944 1.140418 -1.294448
O 4.198166 1.283191 1.170397
N -1.111144 0.158751 0.462306
N 1.085867 0.122238 -0.496488
C -1.189475 1.635489 0.396017
C 1.046670 1.583071 -0.722116
C -2.262953 -0.573250 1.006476
C 2.225866 -0.644774 -1.016694
C 0.214421 2.257803 0.377354
C -3.483518 -0.755199 0.027922
C 3.464921 -0.771795 -0.047042
C -0.005364 -0.589670 0.025796
C -3.026645 -1.334591 -1.327852
C -4.485394 -1.722377 0.729776
C 3.032653 -1.309706 1.334031
C 4.473605 -1.743020 -0.726970
C -4.197722 0.579921 -0.200782
C 4.123956 0.598478 0.125279
H -1.760743 1.988090 1.275787
H -1.750361 1.954861 -0.507908
H 0.617947 1.811446 -1.722910
H 2.078764 1.970866 -0.714572
H -1.906716 -1.584124 1.266944
H -2.615551 -0.063907 1.922890
H 1.870523 -1.671428 -1.210579
H 2.562555 -0.192694 -1.968771
H 0.135497 3.342391 0.182162
H 0.713488 2.118407 1.353282
H -2.454380 -2.262567 -1.159635
H -3.895009 -1.549664 -1.974193
H -2.376893 -0.625723 -1.868163
H -4.769950 -1.350441 1.728863
H -4.014137 -2.715757 0.838386
H -5.404743 -1.843972 0.129526
H 2.469603 -2.249057 1.206432
H 3.913398 -1.491480 1.974787
H 2.381286 -0.589128 1.854939
H 4.749245 -1.398586 -1.737961
H 4.017185 -2.746550 -0.801690
H 5.398302 -1.833128 -0.129526
H -5.096571 2.014872 0.806251
H 5.096056 1.962137 -0.915398


