%chk=000048118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048118

0 1
 O    1.005500       1.283800     -0.1321000    
 O  -0.1350000      0.8652000       1.832800    
 N    4.309400      0.2232000     -0.2570000    
 C   -1.064700      0.1951000     -0.2913000    
 C   -1.201700      -1.284500      1.9999999E-04
 C   -2.367100      0.9616000     -0.1984000    
 C   -3.653000      -1.177700     -0.6315000    
 C   -2.436600      -1.936500     -0.1624000    
 C   -3.599700      0.3050000     -0.3603000    
 C  -3.2499999E-02  0.8107000      0.6147000    
 C  -8.0300003E-02  -2.025000      0.4058000    
 C   -2.349000       2.348300      1.9500000E-02
 C    3.722000       1.206000      -1.159500    
 C    3.136600       2.369900     -0.3663000    
 C   -2.525800      -3.316900      6.9100000E-02
 C   -4.789400       1.046200     -0.3158000    
 C    2.064800       1.899400      0.6077000    
 C  -0.1841000      -3.394500      0.6468000    
 C   -3.539100       3.072900      7.5499997E-02
 C    5.380400      0.8278000      0.5373000    
 C    4.820800     -0.9252000      -1.007400    
 C   -1.405700      -4.040300      0.4769000    
 C   -4.758300       2.422600     -9.3599997E-02
 C    5.957200     -0.1679000       1.529300    
 C    3.725100      -1.569100      -1.839900    
 H  -0.7246000      0.2791000      -1.333500    
 H   -3.769800      -1.333700      -1.710900    
 H   -4.535700      -1.591200     -0.1268000    
 H    2.905500      0.7842000      -1.753800    
 H    4.465900       1.590900      -1.869400    
 H   0.8958000      -1.561700      0.5212000    
 H   -1.416100       2.895400      0.1255000    
 H    3.893500       2.975600      0.1401000    
 H    2.664600       3.045600      -1.092700    
 H   -3.471200      -3.835900     -6.7800000E-02
 H   -5.748300      0.5531000     -0.4547000    
 H    1.661200       2.770500       1.137400    
 H    2.461900       1.197800       1.349400    
 H    5.006800       1.647900       1.156100    
 H    6.182500       1.230100     -9.4099998E-02
 H    5.661900     -0.6499000      -1.656000    
 H    5.170200      -1.706400     -0.3245000    
 H   0.6905000      -3.959100      0.9568000    
 H   -3.514200       4.146000      0.2406000    
 H   -1.485500      -5.108300      0.6570000    
 H   -5.685100       2.987600     -5.7599999E-02
 H    6.583100      0.3603000       2.257700    
 H    6.600700     -0.9121000       1.050000    
 H    5.170700     -0.6844000       2.090200    
 H    2.808800      -1.723100      -1.260500    
 H    3.487900     -0.9929000      -2.739600    
 H    4.059700      -2.554400      -2.184300    


%chk=000048118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048118

0 1
O 1.016265 1.312959 -0.175921
O -0.005398 0.914306 1.876989
N 4.676481 0.291929 -0.317063
C -1.145389 0.286473 -0.244716
C -1.319390 -1.235653 -0.094978
C -2.499243 0.990764 -0.048510
C -3.388874 -0.877957 -1.498164
C -2.439565 -1.809460 -0.756273
C -3.613409 0.406466 -0.710973
C -0.028237 0.851904 0.627331
C -0.428945 -2.064846 0.622614
C -2.674762 2.170136 0.709150
C 3.842359 1.104146 -1.242871
C 3.197303 2.319849 -0.537745
C -2.648526 -3.205129 -0.693763
C -4.884603 1.014199 -0.609892
C 2.195717 1.907155 0.537907
C -0.639939 -3.461692 0.674649
C -3.948129 2.777820 0.798696
C 6.040067 0.862008 -0.140115
C 4.694337 -1.154904 -0.670298
C -1.749061 -4.035238 0.013611
C -5.055694 2.201952 0.137118
C 6.700663 0.455772 1.191424
C 3.396755 -1.882325 -0.271690
H -0.833297 0.472097 -1.294768
H -2.941647 -0.621086 -2.484987
H -4.347520 -1.381606 -1.713631
H 3.031733 0.468391 -1.639912
H 4.432972 1.458453 -2.123209
H 0.420823 -1.628339 1.157886
H -1.828499 2.607453 1.248060
H 3.980619 2.937063 -0.055255
H 2.695186 2.961843 -1.287063
H -3.519120 -3.643145 -1.196831
H -5.743534 0.554935 -1.114127
H 1.835164 2.760408 1.139877
H 2.626505 1.141438 1.206604
H 5.949659 1.964301 -0.162866
H 6.709004 0.585905 -0.995110
H 4.892891 -1.303015 -1.762192
H 5.539417 -1.623147 -0.133796
H 0.054394 -4.096153 1.236511
H -4.075108 3.690586 1.391229
H -1.918103 -5.116918 0.056591
H -6.045072 2.667003 0.210294
H 7.693187 0.933670 1.291461
H 6.848716 -0.636791 1.264232
H 6.069024 0.769193 2.040936
H 3.238315 -1.801712 0.818568
H 2.510692 -1.457187 -0.776191
H 3.453318 -2.953173 -0.542930


