%chk=000001518.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001518

1 1
 O  -0.6975000      -1.069200       2.107700    
 N   -3.943200      0.3819000     -0.3637000    
 C   -2.861900      0.1337000      0.6225000    
 C   -1.736800     -0.6579000     -3.0900000E-02
 C   -4.511400     -0.9417000     -0.8938000    
 C   -5.092600       1.172800      0.2759000    
 C   -3.416200       1.187700      -1.558900    
 C  -0.5278000     -0.9224000      0.8834000    
 C   0.8131000     -0.9896000      0.3093000    
 C    1.634100      0.1424000      0.1791000    
 C    2.923200      6.9999998E-04 -0.3876000    
 C    1.256500      -2.243200     -0.1133000    
 C    1.204100       1.411800      0.5988000    
 C    3.353400      -1.268700     -0.8070000    
 C    2.524300      -2.382600     -0.6701000    
 C    3.744400       1.132600     -0.5176000    
 C    2.033200       2.525500      0.4616000    
 C    3.300900       2.386200     -9.5600002E-02
 H   -2.498300       1.100500      0.9914000    
 H   -3.287000     -0.4144000       1.472000    
 H   -2.069100      -1.653700     -0.3415000    
 H   -1.336600     -0.1422000     -0.9082000    
 H   -5.409800     -0.7155000      -1.477200    
 H   -3.780900      -1.426600      -1.545600    
 H   -4.766800      -1.574800     -3.9200000E-02
 H   -4.692400       2.128200      0.6277000    
 H   -5.870700       1.335000     -0.4757000    
 H   -5.483200      0.5871000       1.113100    
 H   -4.276400       1.521000      -2.148500    
 H   -2.864800       2.052200      -1.177900    
 H   -2.786100      0.5558000      -2.189100    
 H   0.6218000      -3.120300     -1.3300000E-02
 H   0.2222000       1.564700       1.039800    
 H    4.340400      -1.401100      -1.245200    
 H    2.869100      -3.358700     -0.9987000    
 H    4.739100       1.047000     -0.9502000    
 H    1.688800       3.501900      0.7900000    
 H    3.945800       3.253500     -0.2021000    


%chk=000001518-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001518

1 1
O -1.236307 -1.968536 1.236015
N -4.070381 0.462395 -0.383216
C -2.763082 0.243629 0.424707
C -1.540358 -0.201883 -0.388993
C -4.559862 -0.856456 -0.981752
C -5.134768 0.982555 0.584654
C -3.853903 1.486997 -1.492626
C -0.643311 -1.128653 0.494963
C 0.829234 -1.131264 0.292994
C 1.637248 0.057374 0.093290
C 3.030298 -0.117631 -0.276190
C 1.430439 -2.407167 0.245688
C 1.170899 1.395187 0.323876
C 3.578780 -1.438171 -0.378577
C 2.801313 -2.564103 -0.094732
C 3.857885 1.033703 -0.491451
C 2.004546 2.499500 0.120854
C 3.354278 2.322581 -0.313026
H -2.569413 1.196389 0.948466
H -2.990045 -0.540699 1.169815
H -1.830211 -0.867599 -1.226959
H -0.973648 0.634117 -0.822175
H -5.548208 -0.692547 -1.437917
H -3.855058 -1.201067 -1.751127
H -4.629560 -1.607842 -0.180938
H -4.790320 1.931116 1.023666
H -6.075659 1.144289 0.036812
H -5.287962 0.238289 1.380715
H -4.803573 1.643892 -2.027134
H -3.514894 2.433609 -1.044627
H -3.091365 1.112123 -2.190003
H 0.808085 -3.286427 0.441771
H 0.167869 1.561119 0.732711
H 4.631007 -1.551135 -0.663942
H 3.234848 -3.566990 -0.149467
H 4.904373 0.883035 -0.779507
H 1.631317 3.510234 0.317920
H 3.994367 3.195636 -0.473157


