%chk=000046464.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046464

0 1
 O   -3.035300      0.6967000      0.1786000    
 N    2.742200     -0.7261000     -0.7296000    
 C    1.894700      2.1800000E-02  0.2178000    
 C    1.973200       1.513200     -0.1890000    
 C   0.4566000     -0.4984000      0.2129000    
 C   0.9203000       2.352000      0.5242000    
 C  -0.4736000       1.880900      0.1292000    
 C  -0.6440000      0.3842000      0.2028000    
 C    2.496500     -0.1799000       1.623600    
 C   0.2048000      -1.884000      0.2683000    
 C   -1.951200     -0.1329000      0.2090000    
 C    2.229400     -0.5905000      -2.079800    
 C   -1.098300      -2.382500      0.2854000    
 C   -2.176400      -1.506800      0.2523000    
 C   -3.538900       1.052400      -1.105800    
 H    1.801500       1.684800      -1.256400    
 H    2.971200       1.916000      2.7600000E-02
 H    1.038500       3.409000      0.2585000    
 H    1.048900       2.286400       1.610600    
 H  -0.6751000       2.199700     -0.9007000    
 H   -1.198100       2.382000      0.7821000    
 H    2.552900      -1.241100       1.896300    
 H    3.513500      0.2258000       1.684300    
 H    1.896000      0.3117000       2.397200    
 H    2.790200      -1.709300     -0.4680000    
 H    1.021200      -2.600200      0.3122000    
 H    2.679100      -1.385200      -2.688000    
 H    2.557200      0.3374000      -2.557900    
 H    1.148500     -0.7038000      -2.199600    
 H   -1.268700      -3.454300      0.3273000    
 H   -3.189300      -1.900000      0.2636000    
 H   -3.994500      0.1805000      -1.585700    
 H   -2.751400       1.458800      -1.747300    
 H   -4.308600       1.817500     -0.9718000    


%chk=000046464-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046464

0 1
O -3.111237 0.769523 0.231331
N 2.780686 -0.679731 -0.770908
C 1.910746 0.052584 0.198699
C 1.985342 1.571367 -0.122912
C 0.435138 -0.449983 0.197632
C 0.899084 2.387890 0.604499
C -0.499630 1.954067 0.122781
C -0.676312 0.441596 0.165685
C 2.523224 -0.209488 1.603054
C 0.195092 -1.848313 0.242969
C -1.988421 -0.109064 0.194597
C 2.335443 -0.795064 -2.172437
C -1.112055 -2.374222 0.276106
C -2.219127 -1.497513 0.255813
C -3.668381 1.093400 -1.091716
H 1.862590 1.722814 -1.213519
H 3.000508 1.923358 0.135944
H 1.043322 3.467952 0.411516
H 0.978795 2.246042 1.699927
H -0.641164 2.310239 -0.920638
H -1.300831 2.428859 0.717422
H 2.459012 -1.280907 1.871929
H 3.586534 0.091114 1.601024
H 1.989340 0.357344 2.383856
H 3.087171 -1.583518 -0.389236
H 1.048742 -2.537865 0.250617
H 3.076224 -1.393575 -2.732513
H 2.298661 0.201578 -2.647992
H 1.334302 -1.268358 -2.301384
H -1.269955 -3.457534 0.321800
H -3.248511 -1.868116 0.304027
H -3.998325 0.176002 -1.618586
H -2.928490 1.626562 -1.721870
H -4.534517 1.746760 -0.903315


