%chk=000059033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059033

0 1
 O    3.929600       1.238000      9.7400002E-02
 O    2.243000       1.983100       1.460200    
 O   0.1132000      -2.204000      0.9622000    
 O   -3.734000      -1.193300     -0.2902000    
 O   -4.611100       2.190600     -0.1833000    
 O   -5.792400      0.3901000     -0.6100000    
 N   0.7058000     -8.6800002E-02  0.2196000    
 N   -4.687300      0.9331000     -0.3134000    
 C    4.225100      3.1599998E-02 -0.6312000    
 C    2.865600     -0.6241000     -0.8261000    
 C    2.116400     -0.2181000      0.4247000    
 C    2.720600       1.125600      0.7333000    
 C    4.873700      0.4067000      -1.959900    
 C    5.178100     -0.8242000      0.2065000    
 C  -0.1995000      -1.106000      0.5090000    
 C   -1.627900     -0.8224000      0.2150000    
 C   -2.240400      0.4168000      0.1881000    
 C   -2.528000      -1.780100     -7.2099999E-02
 C   -3.550500      0.1436000     -0.1298000    
 H    2.917800      -1.709900     -0.9574000    
 H    2.362700     -0.2154000      -1.713000    
 H    2.325000     -0.8992000       1.256700    
 H    4.232100       1.086600      -2.531900    
 H    5.816100      0.9414000      -1.795800    
 H    5.076800     -0.4782000      -2.571600    
 H    5.413000      -1.768300     -0.2956000    
 H    6.115600     -0.2876000      0.3927000    
 H    4.757500      -1.052100       1.191900    
 H   0.3636000      0.7799000     -0.1852000    
 H   -1.819300       1.394700      0.3742000    
 H   -2.507700      -2.856300     -0.1645000    


%chk=000059033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059033

0 1
O 4.021363 1.276088 0.112293
O 2.177993 2.225577 1.171705
O 0.295250 -2.264806 0.086207
O -3.865408 -1.294779 -0.050131
O -4.669923 2.202316 -0.140543
O -6.032893 0.349797 -0.173090
N 0.661078 0.026440 0.213772
N -4.878355 0.921762 -0.128359
C 4.321400 -0.045145 -0.625839
C 2.904818 -0.654014 -0.842877
C 2.104515 -0.132837 0.372453
C 2.734036 1.251819 0.629156
C 5.031725 0.353516 -1.920687
C 5.210826 -0.883547 0.306601
C -0.163153 -1.077554 0.119425
C -1.627861 -0.805722 0.049199
C -2.357024 0.441449 0.000769
C -2.579024 -1.825200 0.015553
C -3.698438 0.098203 -0.058596
H 2.921859 -1.752815 -0.890115
H 2.456827 -0.264365 -1.774493
H 2.305967 -0.786360 1.246164
H 4.418654 1.062615 -2.502340
H 6.004280 0.828043 -1.705790
H 5.210793 -0.544067 -2.540179
H 5.538387 -1.802904 -0.210987
H 6.106593 -0.308509 0.595774
H 4.679184 -1.180381 1.227817
H 0.291867 0.967650 0.386531
H -1.978086 1.461164 -0.000153
H -2.494052 -2.907636 0.031262


