%chk=000178736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178736

1 1
 O   0.5823000      -2.125700     -0.5815000    
 O  -0.4018000       2.557200     -0.3684000    
 O    3.152600      -1.606000      0.2961000    
 N   -2.303700     -0.3226000      0.1799000    
 C   -1.325900     -6.5200001E-02 -0.9575000    
 C   -2.357200      0.8971000       1.088700    
 C   -3.688300     -0.5899000     -0.3924000    
 C   -1.843500      -1.532000      0.9809000    
 C   7.0299998E-02  0.2090000     -0.4818000    
 C   0.9653000     -0.8443000     -0.3146000    
 C   0.4636000       1.516700     -0.2102000    
 C    2.263200     -0.5879000      0.1276000    
 C    1.761500       1.773000      0.2320000    
 C    2.661300      0.7207000      0.4010000    
 H   -1.718200      0.7742000      -1.546000    
 H   -1.356700     -0.9378000      -1.623000    
 H   -2.622300       1.773400      0.4915000    
 H   -3.144300      0.7213000       1.830200    
 H   -1.410700       1.016600       1.620200    
 H   -3.631000      -1.468700      -1.041500    
 H   -4.379000     -0.7729000      0.4362000    
 H   -4.002700      0.2888000     -0.9633000    
 H   -1.743900      -2.386900      0.3071000    
 H  -0.9195000      -1.304000       1.516300    
 H   -2.620500      -1.752100       1.721100    
 H    2.084900       2.787500      0.4490000    
 H    3.669300      0.9346000      0.7461000    
 H    1.335200      -2.715500     -0.4029000    
 H   4.8599999E-02   3.384600     -0.1268000    
 H    3.998500      -1.239800      0.6066000    


%chk=000178736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178736

1 1
O 0.652781 -2.122807 -0.440606
O -0.421006 2.580673 -0.322888
O 3.190360 -1.687255 0.201333
N -2.378081 -0.340825 0.232376
C -1.283697 -0.052854 -0.864027
C -2.521873 0.852639 1.171207
C -3.699981 -0.581280 -0.489791
C -2.010283 -1.579432 1.042890
C 0.095314 0.235766 -0.345347
C 1.046422 -0.804691 -0.214229
C 0.548746 1.574744 -0.148924
C 2.398070 -0.527920 0.123616
C 1.886982 1.855995 0.192010
C 2.816324 0.796512 0.327286
H -1.670884 0.811354 -1.427629
H -1.278419 -0.955111 -1.497650
H -2.737832 1.752921 0.579349
H -3.335243 0.644632 1.884008
H -1.573244 0.996941 1.706820
H -3.587938 -1.437755 -1.171983
H -4.483979 -0.797706 0.252033
H -3.967918 0.319831 -1.062183
H -1.873408 -2.430099 0.360758
H -1.065098 -1.390540 1.569923
H -2.817127 -1.780358 1.765189
H 2.218712 2.888292 0.346802
H 3.856721 1.019912 0.587901
H 1.453432 -2.713184 -0.387241
H -0.014056 3.481840 -0.331527
H 4.143603 -1.506835 0.381126


