%chk=000034776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034776

0 1
 O    2.551000      -1.442400       1.063500    
 N    4.289100      0.3904000     -0.3228000    
 C   -3.621700     -2.0900000E-02  0.2535000    
 C   -4.366300      0.5062000     -0.9329000    
 C   -4.179400       1.367700      0.2815000    
 C   -2.146200     -0.2096000      0.1624000    
 C   -1.604900     -0.9911000     -0.8584000    
 C   -1.306400      0.3967000       1.096600    
 C   0.6161000     -0.5598000     -1.0700000E-02
 C  -0.2237000      -1.166200     -0.9449000    
 C   7.4800000E-02  0.2216000       1.010000    
 C    2.092700     -0.7477000     -0.1041000    
 C    2.845000      0.5920000     -0.2289000    
 C    4.979900       1.663100     -0.4649000    
 H   -4.152700     -0.7548000      0.8557000    
 H   -5.357600      0.1120000      -1.122800    
 H   -3.823600      0.7862000      -1.827900    
 H   -3.513500       2.217300      0.1890000    
 H   -5.045400       1.551500      0.9065000    
 H   -2.247600      -1.472900      -1.590600    
 H   -1.715000       1.002300       1.901400    
 H   0.1821000      -1.778800      -1.745600    
 H   0.7083000      0.6913000       1.757200    
 H    2.339800      -1.381500     -0.9651000    
 H    2.650800       1.213700      0.6532000    
 H    2.477700       1.133500      -1.110100    
 H    4.498600     -0.2002000      -1.127100    
 H    3.516900      -1.528200      0.9882000    
 H    4.673100       2.188700      -1.375200    
 H    6.058300       1.486900     -0.5267000    
 H    4.802800       2.310800      0.3998000    


%chk=000034776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034776

0 1
O 2.695079 -0.803485 1.438172
N 4.300641 0.336136 -0.402675
C -3.692053 -0.058985 0.152131
C -4.431944 0.724142 -0.943814
C -4.345473 1.291995 0.484116
C -2.193221 -0.213978 0.125106
C -1.537502 -0.748697 -1.013412
C -1.407417 0.115599 1.259407
C 0.639657 -0.604932 0.117060
C -0.139441 -0.944974 -1.016677
C -0.008841 -0.075153 1.258240
C 2.151123 -0.767063 0.083877
C 2.841937 0.415167 -0.665361
C 5.055612 1.597520 -0.567738
H -4.225003 -0.939666 0.535553
H -5.397301 0.345840 -1.293051
H -3.826905 1.209987 -1.715698
H -3.682475 2.147468 0.646106
H -5.252168 1.295609 1.096281
H -2.132630 -1.014834 -1.895274
H -1.903739 0.522366 2.149025
H 0.345833 -1.375968 -1.902479
H 0.598818 0.156822 2.138014
H 2.403701 -1.714073 -0.449619
H 2.474651 1.364832 -0.234120
H 2.570828 0.404366 -1.744430
H 4.736657 -0.441705 -0.917698
H 3.633128 -0.453099 1.316485
H 4.994541 2.031869 -1.591628
H 6.119576 1.425295 -0.328059
H 4.667332 2.349399 0.141960


