%chk=000071827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071827

0 1
 O    3.630400      -2.299900      0.1497000    
 O    1.563000      -2.257600       1.093400    
 N   5.8300000E-02 -0.3257000     -0.1699000    
 N    1.230400       1.682700     -0.6302000    
 C   -2.351600     -0.6028000     -0.4478000    
 C   -1.267200      7.5599998E-02  0.1084000    
 C   -3.653200     -0.1923000     -0.1600000    
 C   -1.484400       1.164500      0.9526000    
 C   -3.870400      0.8967000      0.6843000    
 C   -2.123000      -1.772400      -1.352900    
 C    1.271600      0.3828000     -0.2432000    
 C   -2.786000       1.575000       1.240600    
 C   -4.832000     -0.9021000     -0.7409000    
 C    2.450500     -0.2786000      8.3499998E-02
 C    3.645300      0.4288000      9.8000001E-03
 C    3.634000       1.762500     -0.3837000    
 C    2.411500       2.337900     -0.6904000    
 C    2.472800      -1.675000      0.4966000    
 H   0.1420000      -1.286600     -0.4864000    
 H  -0.6581000       1.701400       1.410600    
 H   -4.877800       1.229900      0.9195000    
 H   -1.327200      -1.557400      -2.075100    
 H   -1.842100      -2.651700     -0.7637000    
 H   -2.989700      -2.040600      -1.961900    
 H   -2.955300       2.420900       1.900600    
 H   -4.872400     -0.7611000      -1.825900    
 H   -4.802200      -1.970800     -0.5037000    
 H   -5.773500     -0.5177000     -0.3320000    
 H    4.598500     -2.6799999E-02  0.2641000    
 H    4.552600       2.334600     -0.4455000    
 H    2.348200       3.375400      -1.001400    
 H    3.636600      -3.239600      0.4313000    


%chk=000071827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071827

0 1
O 3.697555 -2.355340 -0.614456
O 1.385011 -2.456585 -0.658137
N 0.032217 -0.169752 -0.149523
N 1.316401 1.791223 0.303276
C -2.348964 -0.628578 -0.284487
C -1.300372 0.323329 -0.040271
C -3.703973 -0.202240 -0.184711
C -1.605496 1.669765 0.290902
C -3.992100 1.146102 0.148855
C -1.998736 -2.065405 -0.643420
C 1.255469 0.448319 -0.001669
C -2.951938 2.069248 0.382432
C -4.861079 -1.161230 -0.428497
C 2.477897 -0.330094 -0.171890
C 3.723249 0.331891 -0.018555
C 3.765687 1.701661 0.289788
C 2.528516 2.377830 0.439337
C 2.436278 -1.758918 -0.492118
H 0.128469 -1.174575 -0.380371
H -0.784921 2.365097 0.465768
H -5.037846 1.466428 0.223445
H -1.378715 -2.125689 -1.559608
H -1.425588 -2.567759 0.160948
H -2.900113 -2.668710 -0.823412
H -3.187641 3.108408 0.638333
H -4.846131 -1.577430 -1.453895
H -4.844257 -2.018409 0.271123
H -5.825876 -0.643069 -0.295267
H 4.639326 -0.250828 -0.146785
H 4.711348 2.235137 0.412979
H 2.505907 3.447511 0.681634
H 3.570019 -3.317338 -0.831349


