%chk=000101045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101045

0 1
 O    1.269100      0.4936000       1.314800    
 N    1.909200      0.8818000     -0.8569000    
 C  -0.3713000     -4.1299999E-02 -0.4185000    
 C  -0.5419000      -1.566900      4.3299999E-02
 C   -1.500900      0.8975000      0.1968000    
 C  -0.4298000     -2.4000001E-03  -1.968600    
 C   0.5336000      -2.527600     -0.5294000    
 C   -2.955400      0.4929000     -0.1693000    
 C    1.015900      0.4477000      0.1082000    
 C  -0.6005000      -1.710800       1.580100    
 C   -1.288700       2.385700     -0.1451000    
 C   0.3509000      -3.979500     -9.8399997E-02
 C   -4.020600       1.370900      0.4820000    
 C    3.206900       1.421900     -0.5213000    
 C    3.423300       1.436600      0.9824000    
 H   -1.506900      -1.917600     -0.3453000    
 H   -1.413300      0.8616000       1.288800    
 H   -1.358900     -0.4531000      -2.334300    
 H  -0.3935000       1.020800      -2.356700    
 H   0.3863000     -0.5544000      -2.444800    
 H   0.4983000      -2.512600      -1.623000    
 H    1.537200      -2.199600     -0.2360000    
 H   -3.100600      0.5241000      -1.254500    
 H   -3.139100     -0.5378000      0.1506000    
 H   -1.285800      -1.007800       2.054900    
 H  -0.9828000      -2.702300       1.848700    
 H   0.3843000      -1.617100       2.045700    
 H  -0.2537000       2.700300      1.5799999E-02
 H   -1.902100       3.028700      0.4946000    
 H   -1.551300       2.602100      -1.185400    
 H  -0.6681000      -4.325700     -0.2977000    
 H   0.5692000      -4.117100      0.9646000    
 H    1.040600      -4.622100     -0.6557000    
 H   -4.029600       2.379200      5.8300000E-02
 H   -3.865600       1.442900       1.563000    
 H   -5.012400      0.9395000      0.3112000    
 H    1.685700      0.8681000      -1.842900    
 H    3.962200      0.8064000      -1.019300    
 H    3.262200       2.434200     -0.9334000    
 H    2.746100       2.114100       1.513500    
 H    3.467000      0.4363000       1.426300    
 H    4.422300       1.856500       1.162400    


%chk=000101045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101045

0 1
O 1.113143 0.306075 1.620572
N 2.039656 0.589260 -0.482911
C -0.382026 -0.080481 -0.309959
C -0.646774 -1.626816 -0.011016
C -1.473805 0.848739 0.363572
C -0.388835 0.125189 -1.849730
C 0.588813 -2.512135 -0.364683
C -2.920877 0.545471 -0.119874
C 0.976420 0.289888 0.353284
C -1.102688 -1.921979 1.439579
C -1.147859 2.354828 0.192246
C 0.233129 -3.993827 -0.619417
C -4.007840 1.085534 0.838188
C 3.370549 0.960095 0.029679
C 3.684842 2.459645 -0.159378
H -1.464927 -1.929570 -0.700990
H -1.417709 0.633896 1.447581
H -1.392610 -0.100224 -2.249726
H -0.149954 1.165741 -2.136849
H 0.313726 -0.551883 -2.371042
H 1.098077 -2.120283 -1.266597
H 1.324073 -2.441290 0.461272
H -3.077105 0.983961 -1.126742
H -3.066438 -0.546233 -0.229659
H -2.098066 -1.498738 1.661095
H -1.171077 -3.012948 1.603814
H -0.379687 -1.501176 2.159463
H -0.139786 2.594925 0.574056
H -1.865129 2.971738 0.762790
H -1.207879 2.674543 -0.865576
H -0.464252 -4.093241 -1.473282
H -0.246656 -4.458849 0.260800
H 1.138499 -4.584309 -0.852911
H -3.957434 2.184726 0.939565
H -3.893287 0.650089 1.849012
H -5.020620 0.831823 0.473828
H 1.888748 0.602831 -1.491712
H 3.369293 0.702622 1.102393
H 4.138898 0.340340 -0.472389
H 3.665248 2.748342 -1.227010
H 2.947531 3.078488 0.381001
H 4.690175 2.692892 0.237162


