%chk=000004425.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004425

0 1
 O    2.343700     -5.0799999E-02  -1.481100    
 O   -1.125200       2.649100     -0.1230000    
 O    3.618800       1.955600     -0.1947000    
 O    3.681500      -2.557100     -0.7989000    
 N   -2.610000      0.3435000      3.4800000E-02
 C   0.2086000      0.6527000     -0.5919000    
 C  -0.4848000       1.510800      0.4774000    
 C   -1.607900      0.6129000       1.100000    
 C    1.555900       1.137800      -1.150100    
 C  -0.8046000      0.2918000      -1.703600    
 C   0.7166000     -0.6057000      2.3600001E-02
 C   0.5113000       2.071900       1.507500    
 C   -1.033200     -0.6759000       1.787500    
 C   -2.080200     -0.3601000      -1.137700    
 C   0.1444000      -1.291100       1.078200    
 C    1.648000       2.834300      0.8280000    
 C    2.387100       1.954100     -0.1548000    
 C    1.900100     -0.9870000     -0.5760000    
 C   -3.833900     -0.2801000      0.5257000    
 C   0.7721000      -2.472400       1.472800    
 C    2.527400      -2.156400     -0.2126000    
 C    1.944700      -2.908700      0.8178000    
 C   -4.909400     -0.2802000     -0.5168000    
 C   -5.471100      -1.389000      -1.011800    
 H   -2.123500       1.204000       1.869400    
 H    1.431400       1.744300      -2.054200    
 H  -0.3626000     -0.3879000      -2.444000    
 H   -1.080200       1.201900      -2.252400    
 H   0.9420000       1.276200       2.124900    
 H  -4.1999999E-03   2.758900       2.190100    
 H   -1.807500      -1.434100       1.937200    
 H  -0.6915000     -0.3887000       2.790900    
 H   -2.806100     -0.3611000      -1.959100    
 H   -1.881800      -1.413400     -0.9027000    
 H    2.355700       3.184000       1.587600    
 H    1.275200       3.711100      0.2883000    
 H   -1.622900       3.112900      0.5718000    
 H   -4.219200      0.2843000       1.383900    
 H   -3.652700      -1.303200      0.8748000    
 H   0.3744000      -3.056800       2.298200    
 H    2.411600      -3.833800       1.149000    
 H   -5.255300      0.6839000     -0.8819000    
 H    3.962700      -3.396800     -0.3967000    
 H   -6.249600      -1.321200      -1.763800    
 H   -5.166800      -2.375800     -0.6814000    


%chk=000004425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004425

0 1
O 2.438224 -0.015716 -1.458038
O -1.218795 2.571249 -0.077235
O 3.624981 2.158663 -0.149931
O 3.871989 -2.525464 -0.843570
N -2.549842 0.266518 0.049341
C 0.268272 0.613096 -0.543482
C -0.482238 1.452774 0.535771
C -1.560070 0.492497 1.158168
C 1.589912 1.197786 -1.129318
C -0.738988 0.238118 -1.672084
C 0.816202 -0.647613 0.100876
C 0.483785 2.084742 1.546833
C -0.986021 -0.797109 1.836764
C -1.976001 -0.488739 -1.105993
C 0.234884 -1.384961 1.138477
C 1.518968 2.961602 0.789893
C 2.371504 2.117088 -0.149442
C 2.024649 -0.991523 -0.522464
C -3.865217 -0.259341 0.501724
C 0.903812 -2.579268 1.511936
C 2.685324 -2.187421 -0.178891
C 2.092009 -2.975351 0.848274
C -4.958135 -0.006419 -0.518052
C -5.814457 -0.949878 -0.981671
H -2.103459 1.071173 1.931633
H 1.442647 1.730026 -2.085544
H -0.240028 -0.410992 -2.414787
H -1.049421 1.166645 -2.186929
H 1.004629 1.310087 2.139448
H -0.095928 2.719322 2.240903
H -1.797020 -1.548178 1.922937
H -0.710300 -0.539625 2.879856
H -2.758213 -0.563478 -1.881901
H -1.708104 -1.528903 -0.809360
H 2.192713 3.495720 1.480836
H 0.951907 3.707999 0.198810
H -2.093385 2.143006 -0.344728
H -4.119187 0.270487 1.442371
H -3.827650 -1.349459 0.738860
H 0.513426 -3.203133 2.324075
H 2.589470 -3.906374 1.152048
H -5.040169 1.033721 -0.866817
H 4.258981 -3.354925 -0.467501
H -6.609038 -0.703452 -1.694426
H -5.747622 -1.996299 -0.657469


