%chk=000049731.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049731

0 1
 O    7.816800      0.5465000      1.2300000E-02
 O  -0.6754000      -1.727500     -0.1721000    
 N    4.247300     -0.3482000     -4.0000002E-03
 N   -1.885800      0.2583000      0.1567000    
 C    1.799600     -0.4629000      3.0300001E-02
 C    3.027800      0.4388000      0.1355000    
 C   0.5089000      0.3434000      0.1656000    
 C    5.427100      0.4981000      0.1049000    
 C  -0.7383000     -0.5189000      2.6400000E-02
 C   -3.232000     -0.1728000      8.8500001E-02
 C   -4.282000      0.7330000      0.2399000    
 C   -4.022200       2.185200      0.4781000    
 C    6.694200     -0.3203000     -8.4700003E-02
 C   -3.502500      -1.523200     -0.1330000    
 C   -5.602200      0.2884000      0.1696000    
 C   -3.924700       2.975700     -0.8228000    
 C   -4.822800      -1.967800     -0.2034000    
 C   -5.872500      -1.062000     -5.2099999E-02
 C    9.038600     -0.1640000     -0.1358000    
 H    1.803700     -0.9873000     -0.9341000    
 H    1.833800      -1.235300      0.8095000    
 H    2.982100       1.207700     -0.6454000    
 H    3.018300      0.9458000       1.107900    
 H   0.4729000       1.121300     -0.6067000    
 H   0.4784000      0.8368000       1.144600    
 H    4.246600     -0.8264000     -0.9045000    
 H    5.404900       1.299200     -0.6450000    
 H    5.462400      0.9882000       1.085800    
 H   -1.735700       1.252100      0.2974000    
 H   -3.139700       2.354300       1.103800    
 H   -4.848100       2.602600       1.070400    
 H    6.693400     -0.8026000      -1.069800    
 H    6.763000      -1.096500      0.6874000    
 H   -2.750900      -2.288400     -0.2607000    
 H   -6.431100      0.9823000      0.2831000    
 H   -3.763500       4.037000     -0.6082000    
 H   -4.842700       2.885000      -1.413300    
 H   -3.091300       2.624000      -1.440000    
 H   -5.034900      -3.019000     -0.3761000    
 H   -6.900500      -1.408100     -0.1075000    
 H    9.146100     -0.9119000      0.6558000    
 H    9.086700     -0.6443000      -1.117900    
 H    9.863300      0.5492000     -5.5599999E-02


%chk=000049731-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049731

0 1
O 7.888822 0.367453 0.019500
O -0.763361 -1.476875 -1.258174
N 4.213601 -0.212250 -0.173950
N -1.912347 0.267800 -0.173418
C 1.736463 -0.227010 -0.328991
C 3.028280 0.575816 -0.570475
C 0.470795 0.570431 -0.717837
C 5.508356 0.480909 -0.348079
C -0.780398 -0.319983 -0.740758
C -3.239866 -0.246110 -0.059459
C -4.230824 0.588352 0.551966
C -3.921029 2.004330 1.028652
C 6.634691 -0.342084 0.287078
C -3.580859 -1.544287 -0.524330
C -5.545123 0.081200 0.677573
C -3.873561 3.042615 -0.127980
C -4.903576 -2.014160 -0.386960
C -5.893983 -1.207120 0.214735
C 9.040779 -0.303107 0.614521
H 1.747680 -1.158740 -0.927193
H 1.692080 -0.527367 0.734408
H 3.059284 0.902390 -1.643050
H 3.017609 1.501487 0.040199
H 0.603720 0.975593 -1.742421
H 0.339713 1.439883 -0.043219
H 4.213083 -1.134527 -0.633618
H 5.771858 0.686337 -1.413499
H 5.452638 1.459618 0.164113
H -1.768315 1.200140 0.217460
H -2.970302 2.040108 1.602471
H -4.701979 2.315563 1.746039
H 6.672340 -1.365637 -0.155603
H 6.461122 -0.445497 1.379746
H -2.806174 -2.160397 -0.983938
H -6.307268 0.713705 1.149607
H -3.640824 4.052612 0.256517
H -4.849389 3.086428 -0.642764
H -3.115633 2.781489 -0.889393
H -5.154528 -3.016722 -0.750706
H -6.919914 -1.573853 0.326468
H 8.948961 -0.370282 1.720228
H 9.172566 -1.328999 0.206973
H 9.921913 0.306247 0.358363


