%chk=000117580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117580

0 1
 O    1.883000      0.3742000     -0.4489000    
 O   -1.499500     -0.2885000      0.1920000    
 O    3.377500      0.1262000       1.277300    
 O   -2.509200      -1.710300      -1.302600    
 N    3.708100     -0.9089000     -0.7724000    
 N   -2.649400      -2.057100      0.9870000    
 C  -0.1878000       1.709100     -0.3824000    
 C   -1.013900       2.613400      0.5798000    
 C    1.077200       1.212500      0.3678000    
 C   -1.014800      0.5013000     -0.8850000    
 C   0.2896000       2.512000      -1.608900    
 C   -2.303900       3.199500     -6.5000001E-03
 C   -3.057400       4.019100       1.032000    
 C    3.027000     -0.1161000      0.1270000    
 C   -2.246800      -1.386800     -0.1488000    
 C    4.954500      -1.574700     -0.4714000    
 C   -3.452500      -3.258000      0.9674000    
 C    5.407500      -1.289700      0.9456000    
 C   -3.789200      -3.677200     -0.4488000    
 H  -0.3791000       3.442600      0.9207000    
 H   -1.267500       2.038400       1.480300    
 H    1.675600       2.074400      0.6909000    
 H   0.7798000      0.6538000       1.264400    
 H  -0.3956000     -0.1314000      -1.534000    
 H   -1.862900      0.8449000      -1.489300    
 H   0.9286000       1.910100      -2.264800    
 H   0.8626000       3.394700      -1.304000    
 H  -0.5525000       2.854800      -2.219000    
 H   -2.078200       3.843000     -0.8627000    
 H   -2.966300       2.402100     -0.3570000    
 H   -3.338300       3.401600       1.891100    
 H   -3.972900       4.432100      0.5970000    
 H   -2.446300       4.852900       1.392100    
 H    3.311200      -1.031700      -1.698900    
 H   -2.365300      -1.685600       1.888300    
 H    5.697600      -1.228600      -1.196200    
 H    4.801300      -2.647400     -0.6242000    
 H   -4.361800      -3.056800       1.541900    
 H   -2.888400      -4.041300       1.482900    
 H    5.633300     -0.2320000       1.116200    
 H    4.717900      -1.681400       1.700400    
 H    6.353700      -1.819400       1.114100    
 H   -4.410000      -2.944000     -0.9741000    
 H   -2.905000      -3.949500      -1.034300    
 H   -4.396800      -4.589600     -0.3990000    


%chk=000117580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117580

0 1
O 1.423825 0.582821 0.188431
O -1.558570 0.061603 -0.422719
O 2.637741 -0.015678 2.127162
O -0.114928 -1.562155 -1.386336
N 2.540426 -1.375570 0.193583
N -1.746225 -2.101534 0.215277
C -0.330451 2.222414 -0.146305
C -1.484731 2.940000 0.620723
C 0.561638 1.532445 0.915471
C -0.871771 1.165002 -1.143489
C 0.530541 3.220168 -0.967406
C -2.385471 3.875055 -0.219100
C -3.519748 4.492850 0.628323
C 2.252198 -0.269395 0.955399
C -1.049323 -1.241523 -0.600906
C 3.500852 -2.400827 0.622001
C -1.508675 -3.552835 0.232338
C 4.781141 -2.416036 -0.240923
C -2.694703 -4.359291 -0.337038
H -1.039823 3.533386 1.447819
H -2.120195 2.165129 1.096001
H 1.182170 2.269357 1.458355
H -0.050120 0.973509 1.648867
H -0.051457 0.731369 -1.738108
H -1.630161 1.610339 -1.810470
H 1.458696 2.730596 -1.311451
H 0.809122 4.092532 -0.347589
H -0.008938 3.596399 -1.855693
H -1.778214 4.687439 -0.662611
H -2.830514 3.315045 -1.065541
H -4.172930 3.706529 1.051364
H -4.152036 5.170218 0.025515
H -3.108628 5.076683 1.473643
H 1.984429 -1.495528 -0.661742
H -2.489344 -1.699634 0.788716
H 3.011298 -3.394020 0.588154
H 3.751015 -2.188001 1.675769
H -1.292220 -3.873677 1.269898
H -0.600815 -3.729971 -0.368469
H 4.545832 -2.613146 -1.302888
H 5.301639 -1.444584 -0.177785
H 5.471574 -3.205755 0.109358
H -3.618654 -4.185168 0.245213
H -2.888890 -4.078458 -1.386708
H -2.471904 -5.441402 -0.301100


