%chk=000049526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049526

0 1
 O   -1.514700     -0.7608000     -0.1418000    
 O   -2.401700       1.092000      0.8633000    
 N    2.125000      -1.074300      0.2878000    
 N   -3.727000     -0.4271000     -0.3268000    
 C    4.524300      -1.668600      0.2331000    
 C    3.094900      -2.071000     -0.1669000    
 C    4.933800     -0.2916000     -0.3050000    
 C    6.352500      7.4800000E-02  0.1392000    
 C    6.805900       1.453700     -0.3487000    
 C    2.737600      -3.437200      0.4175000    
 C    8.213400       1.830800      0.1151000    
 C   0.7832000      -1.425000     -0.1499000    
 C  -0.2235000     -0.3880000      0.3218000    
 C    8.642900       3.174100     -0.4550000    
 C   -2.551700      7.4400000E-02  0.1980000    
 C   -5.028600      0.1134000     -0.2194000    
 C   -6.089200     -0.5443000     -0.8219000    
 C   -5.218900       1.290200      0.4873000    
 C   -7.373900     -1.1300000E-02 -0.7150000    
 C   -6.503500       1.823200      0.5943000    
 C   -7.581000       1.172400     -6.8999999E-03
 H    5.229400      -2.422400     -0.1402000    
 H    4.614500      -1.669200       1.327600    
 H    3.067000      -2.136400      -1.262500    
 H    4.879200     -0.2929000      -1.400200    
 H    4.243800      0.4804000      5.4099999E-02
 H    7.054300     -0.6841000     -0.2284000    
 H    6.405400      5.0700001E-02   1.234800    
 H    6.095400       2.212000      3.5000001E-03
 H    6.768300       1.471000      -1.445200    
 H    2.150400      -1.001700       1.304600    
 H    3.561900      -4.143200      0.2610000    
 H    2.557500      -3.387400       1.497600    
 H    1.863900      -3.885600     -6.5499999E-02
 H    8.927100       1.061400     -0.2017000    
 H    8.244600       1.872500       1.209900    
 H   0.7354000      -1.496600      -1.243700    
 H   0.4445000      -2.387800      0.2465000    
 H   3.4499999E-02  0.5995000     -8.0200002E-02
 H  -0.2321000     -0.3373000       1.417600    
 H    9.650400       3.427000     -0.1101000    
 H    7.964100       3.971000     -0.1349000    
 H    8.654600       3.150700      -1.549400    
 H   -3.648800      -1.291900     -0.8563000    
 H   -5.939000      -1.467000      -1.375600    
 H   -4.436500       1.849800      0.9788000    
 H   -8.212900     -0.5179000      -1.183000    
 H   -6.666300       2.744800       1.145500    
 H   -8.581100       1.587400      7.6499999E-02


%chk=000049526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049526

0 1
O -1.344465 0.514818 -1.018713
O -2.290057 0.408050 1.143201
N 1.929964 -0.721973 0.379905
N -3.583318 0.320089 -0.846336
C 4.269004 -1.485543 0.665568
C 2.844770 -1.882643 0.205798
C 4.917971 -0.375856 -0.189404
C 6.302940 0.061795 0.336977
C 6.968073 1.155324 -0.529473
C 2.361221 -3.168892 0.929815
C 8.354367 1.593771 -0.004643
C 0.583319 -0.836839 -0.213048
C 0.012442 0.578137 -0.414328
C 9.012619 2.684927 -0.876816
C -2.415855 0.408183 -0.107246
C -4.917942 0.215683 -0.366460
C -5.953317 0.127396 -1.335857
C -5.241943 0.199026 1.016128
C -7.298699 0.024595 -0.929128
C -6.594878 0.095236 1.405274
C -7.629789 0.007912 0.446037
H 4.909776 -2.390498 0.649424
H 4.223333 -1.158571 1.727609
H 2.881159 -2.088793 -0.884765
H 5.021239 -0.736569 -1.234743
H 4.230685 0.491269 -0.225377
H 6.975883 -0.820390 0.390501
H 6.198692 0.434657 1.377981
H 6.299244 2.039932 -0.580496
H 7.072338 0.785514 -1.571265
H 1.891444 -0.425939 1.366217
H 3.019739 -4.027028 0.697788
H 2.366819 -3.023235 2.027708
H 1.333121 -3.439786 0.626948
H 9.020438 0.708083 0.047151
H 8.249065 1.963768 1.035870
H 0.678654 -1.330909 -1.198039
H -0.138646 -1.434043 0.389931
H 0.619176 1.148153 -1.133591
H -0.050434 1.118700 0.547674
H 10.001976 2.980259 -0.481151
H 8.380626 3.592225 -0.919199
H 9.155925 2.328959 -1.914731
H -3.448575 0.341497 -1.859658
H -5.704093 0.139926 -2.404790
H -4.443442 0.266699 1.757780
H -8.087086 -0.042297 -1.686989
H -6.839167 0.083466 2.473529
H -8.675017 -0.071644 0.762635


