%chk=000117008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117008

0 1
 O    1.978100      0.1918000      0.6744000    
 O    4.974800       1.740800     -0.6867000    
 O   -4.150200       2.304000      2.2500001E-02
 N   0.7371000      -2.271400      0.1164000    
 N   -3.498000      4.9699999E-02 -0.2038000    
 C  -1.7000000E-03  -1.069800      0.1782000    
 C   0.6338000      0.1407000      0.4555000    
 C   -1.378900      -1.100100     -4.1499998E-02
 C   -2.120500      7.9999998E-02  1.6100001E-02
 C  -0.1081000       1.320600      0.5131000    
 C   0.1358000      -3.537500     -0.1643000    
 C   -1.485200       1.290300      0.2934000    
 C    2.747700       1.002800     -0.2106000    
 C    4.204200      0.9480000      0.2085000    
 C    1.192600      -4.625000     -0.1824000    
 C   -4.400500       1.121500     -0.1873000    
 C   -5.810400      0.6697000     -0.4741000    
 C    6.349400       1.743900     -0.3277000    
 H   -1.903200      -2.026600     -0.2589000    
 H    1.735500      -2.208700      0.2832000    
 H   0.3652000       2.270200      0.7470000    
 H  -0.6090000      -3.791300      0.5990000    
 H  -0.3592000      -3.524800      -1.142300    
 H   -1.992300       2.242700      0.3593000    
 H    2.639200      0.6374000      -1.239500    
 H    2.411600       2.046100     -0.1931000    
 H    4.559000     -8.9599997E-02  0.1936000    
 H    4.311200       1.322000       1.233900    
 H   -3.887000     -0.8703000     -0.3997000    
 H    1.950400      -4.425200     -0.9476000    
 H    1.703800      -4.693700      0.7840000    
 H   0.7379000      -5.596900     -0.3977000    
 H   -5.861000      0.2297000      -1.474100    
 H   -6.490600       1.524700     -0.4269000    
 H   -6.121000     -7.1400002E-02  0.2677000    
 H    6.484200       2.170600      0.6710000    
 H    6.892000       2.362800      -1.047400    
 H    6.757300      0.7290000     -0.3624000    


%chk=000117008-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117008

0 1
O 2.054507 0.007364 -0.057860
O 5.077036 2.068296 -0.060678
O -4.246773 2.306521 -0.244929
N 0.700243 -2.286670 -0.007435
N -3.603380 0.046916 -0.164486
C -0.050007 -1.117918 -0.061692
C 0.644408 0.138024 -0.087902
C -1.465073 -1.096692 -0.090754
C -2.176049 0.135590 -0.140956
C -0.062360 1.347763 -0.138488
C 0.122027 -3.628074 0.024393
C -1.479515 1.364977 -0.165175
C 2.841145 1.245420 -0.078793
C 4.308840 0.823023 -0.040867
C 1.226343 -4.693436 0.130557
C -4.543263 1.074017 -0.212413
C -5.999038 0.603084 -0.223340
C 6.518326 1.831904 -0.031178
H -2.018091 -2.043188 -0.074559
H 1.713980 -2.176209 0.001473
H 0.472346 2.302243 -0.157980
H -0.570637 -3.726077 0.889396
H -0.484437 -3.811432 -0.890551
H -2.033746 2.302640 -0.204241
H 2.631061 1.821666 -1.001001
H 2.598833 1.872321 0.801518
H 4.552195 0.191008 -0.922566
H 4.519727 0.239716 0.881812
H -3.978163 -0.903494 -0.141760
H 1.912931 -4.640778 -0.734648
H 1.818117 -4.557909 1.054372
H 0.785945 -5.705170 0.152975
H -6.492342 0.987600 -1.132784
H -6.523291 1.042647 0.642823
H -6.119067 -0.494406 -0.191382
H 6.824031 1.293483 0.891326
H 6.993929 2.824796 -0.048948
H 6.853266 1.247136 -0.914479


