%chk=000048712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048712

0 1
 O    4.416900      0.7215000      0.1099000    
 N   -2.796800      8.6300001E-02  0.6041000    
 C  -0.4774000      0.2151000     -0.1020000    
 C   -1.671900     -0.7671000      0.1334000    
 C   -2.226500       1.399800      0.9636000    
 C  -0.7306000       1.153300       1.092700    
 C  -0.6262000       1.057300      -1.410300    
 C   -2.468700       2.371200     -0.2029000    
 C   -1.945900       1.832600      -1.537800    
 C   0.9304000     -0.3854000     -1.6200000E-02
 C   -2.118500      -1.595200      -1.072600    
 C   -3.506900     -0.5240000       1.725000    
 C   -3.300600      -2.482100     -0.7296000    
 C    2.047500      0.4513000      7.4000000E-03
 C    1.097900      -1.770100      3.9200000E-02
 C    3.328500     -9.5200002E-02  8.6199999E-02
 C    2.378700      -2.316600      0.1179000    
 C    3.494000      -1.479300      0.1416000    
 C    4.175900       2.126600      5.0299998E-02
 H   -1.401300      -1.452300      0.9501000    
 H   -2.644700       1.826500       1.882600    
 H  -0.1503000       2.082200       1.052700    
 H  -0.4985000      0.6585000       2.045900    
 H  -0.4897000      0.4208000      -2.293700    
 H   0.1777000       1.802800      -1.463900    
 H   -1.969400       3.323600      1.6300000E-02
 H   -3.538600       2.594000     -0.2972000    
 H   -2.711100       1.183400      -1.977500    
 H   -1.824200       2.658400      -2.249000    
 H   -1.300000      -2.225700      -1.432500    
 H   -2.405200     -0.9676000      -1.921000    
 H   -2.857200     -0.6483000       2.599800    
 H   -3.946800      -1.495300       1.499600    
 H   -4.343000      0.1192000       2.023300    
 H   -3.111500      -3.088000      0.1618000    
 H   -4.226200      -1.911700     -0.6116000    
 H   -3.477900      -3.179800      -1.556300    
 H    1.875700       1.520500     -2.8300000E-02
 H   0.2717000      -2.469500      3.4899998E-02
 H    2.508500      -3.394000      0.1635000    
 H    4.489300      -1.910800      0.2038000    
 H    3.616700       2.476900      0.9245000    
 H    3.698300       2.414100     -0.8926000    
 H    5.151700       2.622600      7.7000000E-02


%chk=000048712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048712

0 1
O 4.495378 0.656040 0.082734
N -2.860521 0.123533 0.658101
C -0.523795 0.253174 -0.067597
C -1.733665 -0.738688 0.128444
C -2.285201 1.484460 0.972644
C -0.770884 1.219731 1.133935
C -0.663229 1.097031 -1.385365
C -2.518523 2.465026 -0.201163
C -2.024716 1.833286 -1.525768
C 0.863975 -0.405547 0.001483
C -2.125396 -1.562051 -1.122410
C -3.578885 -0.476265 1.805110
C -3.186232 -2.651959 -0.858226
C 2.011981 0.437590 -0.002074
C 1.064827 -1.805428 0.089543
C 3.313337 -0.107170 0.076383
C 2.373031 -2.344102 0.168087
C 3.502974 -1.508934 0.160414
C 4.364711 2.109980 -0.008864
H -1.439716 -1.457636 0.932416
H -2.746912 1.876911 1.898021
H -0.161011 2.139253 1.079642
H -0.546424 0.708711 2.089324
H -0.498413 0.444314 -2.264040
H 0.159082 1.839324 -1.396206
H -1.984048 3.412930 0.015394
H -3.595367 2.703724 -0.285338
H -2.796638 1.115592 -1.854004
H -1.946634 2.603406 -2.317654
H -1.212452 -2.035097 -1.535866
H -2.507133 -0.879078 -1.901545
H -2.934449 -0.633076 2.707555
H -3.994715 -1.456874 1.520172
H -4.424189 0.173438 2.095196
H -2.873664 -3.335102 -0.044184
H -4.154158 -2.200323 -0.577688
H -3.353211 -3.264566 -1.763487
H 1.875459 1.522218 -0.055732
H 0.213581 -2.490573 0.103400
H 2.507796 -3.429643 0.234834
H 4.520902 -1.905390 0.219566
H 3.801234 2.521514 0.851847
H 3.870109 2.413234 -0.952765
H 5.395602 2.493584 0.007827


