%chk=000004450.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004450

0 1
 O   9.1700003E-02   1.600100     -0.8118000    
 N    2.947700       1.231900      0.1749000    
 C  -0.4791000      0.2982000     -0.9408000    
 C   0.3696000     -0.8495000     -0.3942000    
 C    1.950200      0.6059000       1.061100    
 C    1.448300     -0.7150000      0.5074000    
 C    2.380900       2.292800     -0.6789000    
 C    1.263200       1.804700      -1.596700    
 C   -1.859200      0.3501000     -0.3053000    
 C   2.7000001E-02  -2.144100     -0.8470000    
 C    2.150500      -1.874300      0.9044000    
 C    4.063000       1.776800      0.9544000    
 C   0.7270000      -3.275400     -0.4321000    
 C    1.792500      -3.139900      0.4443000    
 C   -2.872700     -0.4778000     -0.7813000    
 C   -2.103700       1.225700      0.7496000    
 C   -4.139200     -0.4298000     -0.1986000    
 C   -3.370000       1.273700       1.332400    
 C   -4.387800      0.4459000      0.8582000    
 H  -0.6221000      0.1372000      -2.019700    
 H    1.124000       1.277700       1.321200    
 H    2.399100      0.3854000       2.041100    
 H    3.179200       2.688700      -1.318800    
 H    2.011700       3.118800     -5.6800000E-02
 H    1.027600       2.588400      -2.324700    
 H    1.567500      0.9153000      -2.161700    
 H  -0.7793000      -2.286500      -1.561500    
 H    2.995800      -1.793500       1.585400    
 H    4.558300      0.9829000       1.524800    
 H    3.735100       2.554900       1.653100    
 H    4.826400       2.203300      0.2938000    
 H   0.4453000      -4.256500     -0.8026000    
 H    2.348900      -4.014300      0.7678000    
 H   -2.709900      -1.148800      -1.618900    
 H   -1.329000       1.873300       1.149400    
 H   -4.933400      -1.070100     -0.5713000    
 H   -3.563300       1.953400       2.157200    
 H   -5.374000      0.4839000       1.311500    


%chk=000004450-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004450

0 1
O 0.148347 1.562309 -1.162491
N 2.761130 1.172452 0.511782
C -0.543120 0.259643 -1.163812
C 0.340871 -0.919997 -0.750992
C 1.587969 0.436718 1.086800
C 1.289641 -0.846725 0.308400
C 2.435446 2.155005 -0.546963
C 1.535214 1.614199 -1.665624
C -1.791336 0.436819 -0.278404
C 0.191453 -2.133505 -1.469863
C 2.037634 -2.008020 0.627215
C 3.629215 1.776813 1.542109
C 0.936244 -3.284347 -1.135632
C 1.866139 -3.220907 -0.073285
C -2.504001 -0.693387 0.195763
C -2.279897 1.732742 0.023941
C -3.683121 -0.531941 0.957368
C -3.457287 1.892730 0.788915
C -4.165834 0.762556 1.257515
H -0.895473 0.055619 -2.201473
H 0.688810 1.083793 1.152072
H 1.863914 0.151548 2.118815
H 3.391799 2.492582 -0.996449
H 1.926891 3.064457 -0.132433
H 1.545540 2.320011 -2.518273
H 1.886894 0.624620 -2.010023
H -0.519005 -2.171388 -2.305833
H 2.776490 -1.949380 1.435714
H 3.947581 1.005365 2.265385
H 3.142035 2.608306 2.112709
H 4.538072 2.187328 1.064220
H 0.799316 -4.213124 -1.700356
H 2.456602 -4.102956 0.198879
H -2.130690 -1.701233 -0.016264
H -1.725003 2.601723 -0.338354
H -4.219721 -1.416187 1.320071
H -3.821935 2.900897 1.017840
H -5.079022 0.888363 1.850312


