%chk=000001696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001696

1 1
 O    1.548600     -0.9061000      -1.836100    
 O    3.203200     -3.5100002E-02  0.2518000    
 O    1.465500       2.106800       1.207800    
 O   -2.040300      -2.274800       1.016200    
 N  -0.8946000     -9.8200001E-02 -0.2910000    
 N   -2.287300      0.1978000     -0.4750000    
 N   -2.589100       1.523700     -0.3749000    
 C  -0.2656000      -1.398900     -0.3220000    
 C    1.257100      -1.245900     -0.4766000    
 C    1.790000     -0.1327000      0.4351000    
 C    1.141100       1.227000      0.1278000    
 C  -0.3198000       1.126300     -6.8700001E-02
 C  -0.6301000      -2.184800      0.9359000    
 C   -1.378600       2.094900     -0.1302000    
 H  -0.6768000      -1.912700      -1.201200    
 H    1.769700      -2.193800     -0.2779000    
 H    1.632200     -0.4067000       1.485100    
 H    1.594800       1.664300     -0.7691000    
 H  -0.2739000      -1.684400       1.841400    
 H  -0.2127000      -3.195900      0.8989000    
 H   -3.008800     -0.4881000     -0.6570000    
 H   -1.319800       3.167300     -1.5200000E-02
 H    2.511100     -0.7844000      -1.904200    
 H    3.520600      0.6844000      0.8239000    
 H    1.069700       1.745500       2.019600    
 H   -2.250600      -2.779300       1.820400    


%chk=000001696-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001696

1 1
O 1.682816 -1.142631 -1.644649
O 3.251631 -0.018910 0.300545
O 1.680905 2.503862 0.655526
O -2.285951 -2.376007 0.530848
N -0.883315 -0.042593 -0.078270
N -2.252720 0.144900 -0.015436
N -2.576874 1.441751 0.095523
C -0.249071 -1.384051 -0.267006
C 1.295004 -1.235074 -0.241693
C 1.818106 0.010885 0.521155
C 1.198644 1.320273 -0.046087
C -0.302134 1.197954 -0.031370
C -0.824639 -2.390139 0.745410
C -1.375450 2.118788 0.073790
H -0.509266 -1.722997 -1.287148
H 1.742574 -2.130859 0.235228
H 1.571320 -0.067271 1.605655
H 1.559168 1.454292 -1.081850
H -0.584721 -2.117795 1.791841
H -0.401969 -3.384707 0.515440
H -2.849663 -0.703443 0.108876
H -1.345376 3.202882 0.127027
H 2.669927 -1.029444 -1.685910
H 3.668723 0.828256 0.604418
H 1.390122 2.500502 1.605886
H -2.732189 -3.162225 0.927051


