%chk=000019935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019935

0 1
 O   0.3788000      -1.465200      0.1452000    
 N    4.039400      -1.887500      0.2308000    
 C  -0.5455000     -0.5397000      0.7008000    
 C  -0.1718000      0.8885000      0.3537000    
 C   -1.958200     -0.8976000      0.2886000    
 C    1.715400      -1.153800      0.5158000    
 C    2.647400      -2.179100     -0.1101000    
 C   0.2029000       1.751200       1.367000    
 C  -0.2150000       1.292200     -0.9679000    
 C   -3.006800     -0.5876000       1.136300    
 C   -2.167800      -1.525700     -0.9260000    
 C   0.5093000       3.492000     -0.2799000    
 C   0.5464000       3.064800       1.047300    
 C   0.1286000       2.605800      -1.287500    
 C    4.405800     -0.5456000     -0.2207000    
 C    4.930100      -2.886200     -0.3590000    
 C   -4.308100     -0.9170000      0.7568000    
 C   -3.469200      -1.855000      -1.305500    
 C   -4.539200      -1.550500     -0.4640000    
 C   0.8776000       4.896100     -0.6216000    
 H  -0.4940000     -0.6781000       1.790600    
 H    1.970700     -0.1645000      0.1368000    
 H    1.812200      -1.165700       1.608400    
 H    2.367700      -3.174000      0.2600000    
 H    2.491200      -2.204800      -1.197300    
 H   0.2358000       1.429900       2.403700    
 H  -0.4922000      0.6163000      -1.770000    
 H   -2.837300     -9.2799999E-02   2.088100    
 H   -1.353000      -1.768700      -1.601400    
 H   0.8399000       3.746200       1.841400    
 H   9.7900003E-02   2.926400      -2.325500    
 H    3.971000      0.2329000      0.4141000    
 H    4.132000     -0.3622000      -1.266200    
 H    5.489600     -0.3977000     -0.1345000    
 H    5.967400      -2.705500     -5.5900000E-02
 H    4.885100      -2.885700      -1.454200    
 H    4.672100      -3.890200     -3.5999999E-03
 H   -5.141400     -0.6794000       1.411600    
 H   -3.649700      -2.347100      -2.256800    
 H   -5.552400      -1.806500     -0.7598000    
 H    1.316200       4.957000      -1.623400    
 H  -9.6000005E-03   5.536100     -0.5875000    
 H    1.622300       5.290800      7.8100003E-02


%chk=000019935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019935

0 1
O 0.483396 -1.277932 -0.083968
N 4.151043 -2.015661 0.021784
C -0.496523 -0.442266 0.639988
C -0.244132 1.049047 0.410796
C -1.893063 -0.898497 0.205772
C 1.863418 -1.096056 0.390822
C 2.716970 -2.148185 -0.331732
C 0.143589 1.891545 1.477073
C -0.365509 1.609166 -0.886956
C -3.030251 -0.171182 0.640762
C -2.077349 -2.055556 -0.588000
C 0.272220 3.832926 -0.033576
C 0.394691 3.266841 1.258939
C -0.108578 2.976556 -1.103815
C 4.823826 -0.911465 -0.693744
C 4.893137 -3.285083 -0.114789
C -4.330624 -0.595524 0.291857
C -3.380118 -2.475913 -0.943872
C -4.511065 -1.751498 -0.503956
C 0.529555 5.310276 -0.276506
H -0.381632 -0.642658 1.732088
H 2.208824 -0.066253 0.168885
H 1.919396 -1.252765 1.489048
H 2.367065 -3.149139 -0.020682
H 2.537922 -2.066613 -1.432609
H 0.252364 1.473409 2.486378
H -0.661266 0.962028 -1.720572
H -2.895550 0.735433 1.243138
H -1.196014 -2.609829 -0.920461
H 0.691782 3.904694 2.100309
H -0.206886 3.393379 -2.114213
H 4.294045 0.040624 -0.520263
H 4.878743 -1.078052 -1.800401
H 5.854541 -0.796882 -0.312680
H 5.928598 -3.148164 0.246692
H 4.946223 -3.661954 -1.168358
H 4.417106 -4.065463 0.504817
H -5.200491 -0.024207 0.635712
H -3.510778 -3.371248 -1.562807
H -5.519882 -2.080506 -0.778317
H 1.257902 5.463560 -1.094442
H -0.400006 5.835611 -0.567941
H 0.924962 5.806252 0.626598


