%chk=000000681.chk
%nprocshared=4
%mem=8GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000681

0 1
 O   -2.239200       1.962600      5.4800000E-02
 O   -3.355700     -0.5612000      0.3868000    
 N    4.408100      0.2624000      0.3445000    
 C    2.162800     -2.1199999E-02 -0.6613000    
 C   0.7040000     -0.1603000     -0.3850000    
 C    2.986200      0.1008000      0.6289000    
 C  -9.9900000E-02  0.9759000     -0.2919000    
 C   0.1434000      -1.426700     -0.2187000    
 C   -1.464200      0.8456000     -3.2600001E-02
 C   -1.220900      -1.557000      4.0700000E-02
 C   -2.024700     -0.4208000      0.1336000    
 H    2.511100     -0.8817000      -1.248100    
 H    2.333200      0.8564000      -1.299300    
 H    2.849000     -0.7888000       1.254100    
 H    2.645700      0.9593000       1.219200    
 H   0.3315000       1.965900     -0.4187000    
 H   0.7594000      -2.319500     -0.2869000    
 H   -1.644500      -2.549600      0.1686000    
 H    4.546800       1.086800     -0.2388000    
 H    4.736200     -0.5285000     -0.2089000    
 H   -3.154100       1.686600      0.2377000    
 H   -3.563900      -1.507400      0.4721000    


%chk=000000681-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000681

0 1
O -2.306937 1.954259 0.089498
O -3.429574 -0.467530 0.469421
N 4.471733 0.281690 0.394240
C 2.188050 -0.024173 -0.746185
C 0.701401 -0.183323 -0.476720
C 3.020878 0.115985 0.575955
C -0.130551 0.959949 -0.346557
C 0.132728 -1.467899 -0.282446
C -1.493646 0.821436 -0.031024
C -1.238969 -1.617678 0.034939
C -2.045116 -0.473259 0.160418
H 2.576639 -0.897041 -1.307140
H 2.378417 0.872476 -1.368037
H 2.844646 -0.776857 1.205093
H 2.637726 0.981374 1.148668
H 0.269114 1.968752 -0.495109
H 0.761241 -2.359790 -0.385565
H -1.668406 -2.617544 0.177594
H 4.745652 1.157066 -0.062268
H 4.944171 -0.528102 -0.018913
H -3.229534 1.660094 0.312880
H -3.779364 -1.380286 0.602060


