%chk=000094531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094531

1 1
 O    2.884800     -0.3920000      2.0800000E-02
 O    3.399000       1.843500     -0.1719000    
 N  -0.7529000      -1.086000     -0.4390000    
 C   0.7113000      -1.394200     -0.1609000    
 C   -1.287400     -0.1500000      0.6354000    
 C  -0.8814000     -0.4201000      -1.801500    
 C   -1.554200      -2.379800     -0.4290000    
 C    1.510300     -0.1066000     -0.2025000    
 C   -2.731100      0.2078000      0.4383000    
 C   -3.066700       1.324600     -0.3190000    
 C   -3.720800     -0.5805000       1.014900    
 C   -4.408900       1.657400     -0.5019000    
 C   -5.063000     -0.2478000      0.8320000    
 C   -5.407000      0.8713000      7.3600002E-02
 C    3.729800      0.6804000      1.0900000E-02
 C    5.127800      0.2282000      0.2558000    
 C    5.426400      -1.224300      0.4683000    
 C    6.084000       1.168200      0.2757000    
 H   0.7826000      -1.879800      0.8197000    
 H    1.066800      -2.105800     -0.9160000    
 H  -0.7173000      0.7825000      0.6286000    
 H   -1.128400     -0.6295000       1.609800    
 H  -0.2681000     -0.9785000      -2.516300    
 H   -1.923800     -0.4688000      -2.130800    
 H  -0.5578000      0.6224000      -1.749000    
 H   -1.552400      -2.787700      0.5862000    
 H   -2.569500      -2.198600     -0.7895000    
 H   -1.063500      -3.083300      -1.109800    
 H    1.440700      0.3908000      -1.173500    
 H    1.214100      0.5883000      0.5860000    
 H   -2.302900       1.956000     -0.7636000    
 H   -3.468600      -1.448600       1.617600    
 H   -4.676800       2.530500      -1.089800    
 H   -5.840200     -0.8584000       1.282300    
 H   -6.452100       1.131200     -6.7599997E-02
 H    4.888700      -1.603200       1.343600    
 H    5.128800      -1.810100     -0.4076000    
 H    6.494200      -1.402300      0.6358000    
 H    7.122200      0.9021000      0.4493000    
 H    5.873500       2.221400      0.1224000    


%chk=000094531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094531

1 1
O 2.964134 -0.378670 0.017205
O 3.674041 1.818375 -0.271772
N -0.741347 -0.933496 -0.545018
C 0.756747 -1.134885 -0.224404
C -1.386053 0.018433 0.540984
C -0.924536 -0.352886 -1.943270
C -1.407429 -2.306949 -0.497038
C 1.619317 0.132334 -0.307909
C -2.875755 0.224289 0.401729
C -3.382223 1.301580 -0.374627
C -3.788522 -0.610442 1.101742
C -4.773118 1.520232 -0.474562
C -5.179360 -0.391146 1.002888
C -5.673760 0.670803 0.209717
C 3.977911 0.635838 0.002133
C 5.315366 0.073734 0.339047
C 5.449214 -1.405224 0.637418
C 6.357688 0.953509 0.356654
H 0.814977 -1.559923 0.792074
H 1.139984 -1.884936 -0.937275
H -0.840910 0.970813 0.443396
H -1.121945 -0.448497 1.505636
H -0.382899 -0.985788 -2.663355
H -1.997080 -0.338324 -2.182762
H -0.529226 0.672307 -1.974307
H -1.252183 -2.747952 0.499561
H -2.482964 -2.194012 -0.690937
H -0.948890 -2.949284 -1.264641
H 1.633349 0.588515 -1.313921
H 1.337832 0.910982 0.423318
H -2.691793 1.987733 -0.881352
H -3.414644 -1.417392 1.744582
H -5.152807 2.357678 -1.068204
H -5.873915 -1.033831 1.552854
H -6.752049 0.846080 0.139943
H 4.821974 -1.699829 1.497835
H 5.126215 -2.019084 -0.222509
H 6.496411 -1.658116 0.869479
H 7.373892 0.623352 0.595269
H 6.204559 2.014781 0.132197


