%chk=000009077.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009077

0 1
 O    1.997700      0.5278000      7.9999998E-04
 O    5.480500      0.2121000      5.0000002E-04
 O    4.175800       1.977500      1.2000001E-03
 N   -1.301000     -0.8820000     -6.9999998E-04
 N    4.320000      0.7192000      6.0000003E-04
 C    1.071200     -0.4476000      9.9999997E-05
 C    1.619500      -1.687800     -1.2000001E-03
 C   -2.590500     -0.3410000     -1.9999999E-04
 C    3.197200     -0.1106000     -5.0000002E-04
 C    3.018600      -1.474400     -1.8000000E-03
 C  -0.3203000     -3.0300001E-02  1.1000000E-03
 C   -3.233000     -6.8999998E-02  -1.208100    
 C   -3.234200     -7.2600000E-02   1.208000    
 C   -4.518900      0.4713000      -1.207900    
 C   -4.520200      0.4678000       1.208100    
 C   -5.162400      0.7397000      9.9999997E-05
 H    1.102100      -2.636500     -1.8000000E-03
 H    3.795100      -2.226500     -2.7000001E-03
 H  -0.5061000       1.060300      2.9000000E-03
 H   -2.740300     -0.2752000      -2.154700    
 H   -2.742300     -0.2815000       2.154500    
 H   -5.019200      0.6830000      -2.148400    
 H   -5.021500      0.6767000       2.148600    
 H   -6.163800       1.160500      1.9999999E-04


%chk=000009077-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009077

0 1
O 2.118783 0.605109 0.001740
O 5.631551 -0.094671 0.001705
O 4.502141 1.911026 0.005037
N -1.278750 -0.683849 -0.001858
N 4.547459 0.620968 0.002633
C 1.091312 -0.364440 -0.000553
C 1.654144 -1.647763 -0.002868
C -2.627679 -0.207850 -0.000978
C 3.312817 -0.116206 0.000794
C 3.075738 -1.489368 -0.001976
C -0.271500 0.146982 -0.000026
C -3.310251 -0.008266 -1.229647
C -3.309089 -0.009369 1.228525
C -4.661263 0.401281 -1.220912
C -4.660133 0.400116 1.221465
C -5.343151 0.608377 0.000696
H 1.083096 -2.572948 -0.004915
H 3.840608 -2.261318 -0.003195
H -0.377230 1.248824 0.002294
H -2.783301 -0.182139 -2.173609
H -2.781248 -0.184123 2.171831
H -5.180224 0.559338 -2.172930
H -5.178209 0.557238 2.174120
H -6.391621 0.923950 0.001327


