%chk=000169314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169314

0 1
 O    1.163300      -3.719800     -0.4770000    
 O  -0.7792000      -3.030000      0.4586000    
 O   -5.577100       1.120900      0.1976000    
 O   -4.197000      0.9102000      -1.592600    
 N    2.245700      -1.226300     -0.4150000    
 C   0.4750000     -0.2557000      0.5066000    
 C  -0.8629000     -3.8100000E-02   1.098000    
 C    1.470800      0.7396000      0.3004000    
 C   -1.935000      0.3116000      4.5800000E-02
 C   0.9807000      -1.453600      5.7000000E-02
 C    2.571400      0.1043000     -0.2789000    
 C   -3.323200      0.5281000      0.6492000    
 C    1.541800       2.124200      0.5517000    
 C    3.744000      0.7872000     -0.6207000    
 C    2.708300       2.820300      0.2148000    
 C   0.3593000      -2.741400      5.0700001E-02
 C    3.791300       2.160100     -0.3622000    
 C   -4.377300      0.8584000     -0.3840000    
 H  -0.8102000      0.7804000       1.827700    
 H   -1.182900     -0.9120000       1.676200    
 H   -1.631800       1.214600     -0.5005000    
 H   -1.987400     -0.4901000     -0.7026000    
 H    2.855200      -1.930900     -0.8073000    
 H   -3.640700     -0.3796000       1.174500    
 H   -3.281300       1.355400       1.366500    
 H   0.7067000       2.655300      0.9994000    
 H    4.587600      0.2741000      -1.070000    
 H    2.768600       3.888500      0.4059000    
 H    4.687600       2.720300     -0.6159000    
 H   0.7188000      -4.594400     -0.4722000    
 H   -6.263400       1.345900     -0.4662000    


%chk=000169314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169314

0 1
O 1.179504 -3.703095 -0.513903
O -0.848994 -3.003103 0.414912
O -5.706478 0.922587 0.236051
O -4.300119 0.972267 -1.609820
N 2.268913 -1.239367 -0.442685
C 0.465925 -0.185304 0.530581
C -0.900411 0.071421 1.112443
C 1.519962 0.779895 0.317328
C -1.980567 0.300032 0.017788
C 0.960320 -1.415880 0.049089
C 2.635250 0.091263 -0.291726
C -3.369524 0.514992 0.646134
C 1.629590 2.172843 0.587882
C 3.836838 0.757870 -0.629214
C 2.821198 2.836540 0.253381
C 0.313049 -2.717527 0.026489
C 3.912728 2.134330 -0.349067
C -4.444947 0.817615 -0.377960
H -0.859816 0.957766 1.775587
H -1.208987 -0.793266 1.728910
H -1.709979 1.168984 -0.609494
H -2.010268 -0.578651 -0.650580
H 2.822115 -1.999148 -0.835316
H -3.685560 -0.376016 1.222317
H -3.355411 1.352124 1.373083
H 0.797951 2.718068 1.047765
H 4.677192 0.228528 -1.090761
H 2.923852 3.908539 0.453097
H 4.827894 2.683363 -0.597465
H 0.704885 -4.575813 -0.519524
H -6.389407 1.125644 -0.459822


