%chk=000043555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043555

0 1
 O   0.5317000       1.954400      0.8227000    
 O   0.4203000      -2.513200     -0.4207000    
 N   0.1790000     -0.3120000      0.3474000    
 N  -0.9613000     -0.4831000       1.065800    
 C    1.887200      0.7066000     -0.7892000    
 C    2.136800     -0.8156000     -0.7553000    
 C    3.114600       1.597700     -0.6340000    
 C    3.210700      -1.275300      0.2444000    
 C   0.8046000      0.9086000      0.2564000    
 C   0.7959000      -1.358300     -0.2945000    
 C    4.221900       1.010600      0.1780000    
 C    4.264000     -0.2671000      0.5675000    
 C   -2.195100     -0.1715000      0.4852000    
 C   -3.367900     -0.2051000       1.250600    
 C   -2.273600      0.1775000     -0.8692000    
 C   -4.598300      0.1054000      0.6713000    
 C   -3.504100      0.4881000      -1.448400    
 C   -4.666400      0.4521000     -0.6781000    
 H    1.399900      0.9638000      -1.742000    
 H    2.360800      -1.182000      -1.763300    
 H    2.833500       2.564000     -0.1995000    
 H    3.523100       1.812000      -1.629800    
 H    3.699200      -2.168300     -0.1660000    
 H    2.758300      -1.596700       1.191800    
 H    5.041200       1.669700      0.4516000    
 H    5.109000     -0.6059000       1.160600    
 H  -0.8821000     -0.6955000       2.051400    
 H   -3.329800     -0.4736000       2.303600    
 H   -1.399300      0.2127000      -1.512900    
 H   -5.503400      7.7200003E-02   1.271000    
 H   -3.558000      0.7564000      -2.499500    
 H   -5.624400      0.6935000      -1.129000    


%chk=000043555-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043555

0 1
O 0.518846 1.923088 1.092008
O 0.406917 -2.471549 -0.582503
N 0.139735 -0.298638 0.356590
N -1.060520 -0.511651 1.036253
C 1.984111 0.823405 -0.636056
C 2.192005 -0.717994 -0.759000
C 3.224756 1.700952 -0.330483
C 3.260218 -1.282482 0.230114
C 0.837966 0.950679 0.375660
C 0.832182 -1.318225 -0.376554
C 4.467454 0.927304 0.058017
C 4.494561 -0.407129 0.300463
C -2.300586 -0.196080 0.417641
C -3.439957 -0.003651 1.243360
C -2.433186 -0.121955 -0.992308
C -4.695140 0.261948 0.659927
C -3.695127 0.152346 -1.561239
C -4.833576 0.346274 -0.745777
H 1.541405 1.172577 -1.592251
H 2.466480 -1.012497 -1.784912
H 2.955478 2.412907 0.477076
H 3.460594 2.333944 -1.207670
H 3.518245 -2.311102 -0.079214
H 2.819485 -1.374533 1.245830
H 5.391837 1.513651 0.146122
H 5.435990 -0.890999 0.590843
H -0.989577 -0.390258 2.049377
H -3.340461 -0.057722 2.334710
H -1.567700 -0.298470 -1.638186
H -5.566645 0.410556 1.307371
H -3.788435 0.205981 -2.651899
H -5.809355 0.556425 -1.195409


