%chk=000054145.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054145

0 1
 O   0.3248000      -1.041600     -0.2142000    
 O   -3.630200     -0.9792000       1.156800    
 O   -3.742700     -0.8169000      -1.245700    
 N    4.961600      0.3683000     -0.3347000    
 C    5.314000     -0.5430000      0.7631000    
 C    5.882000       1.512500     -0.3914000    
 C    6.739800      -1.073400      0.6040000    
 C    7.326300       1.049500     -0.5881000    
 C    7.746500      6.6399999E-02  0.4986000    
 C    3.580500      0.8292000     -0.1936000    
 C    2.618800     -0.3530000     -0.2564000    
 C   -3.375700      -1.637200     -0.1089000    
 C   -1.881900      -1.946700     -0.1998000    
 C    1.169700      9.8499998E-02 -0.1342000    
 C   -1.046000     -0.6840000     -0.1060000    
 C   -4.198400      -2.924000     -0.1571000    
 C   -4.141900      0.2131000      0.7423000    
 C   -4.206000      0.3056000     -0.6292000    
 C   -4.561700       1.241600       1.559900    
 C   -4.693500       1.432100      -1.259000    
 C   -5.060200       2.393900      0.9475000    
 C   -5.125800       2.488500     -0.4539000    
 H    4.685700      -1.436900      0.7767000    
 H    5.209500     -4.6799999E-02   1.736900    
 H    5.810900       2.117000      0.5226000    
 H    5.615700       2.162900      -1.233500    
 H    6.995300      -1.712700       1.456900    
 H    6.802000      -1.699700     -0.2952000    
 H    7.428700      0.5731000      -1.571400    
 H    7.997000       1.916100     -0.5818000    
 H    8.744000     -0.3312000      0.2814000    
 H    7.809800      0.5892000       1.460800    
 H    3.440000       1.381100      0.7450000    
 H    3.337900       1.516500      -1.013900    
 H    2.774200      -1.071000      0.5544000    
 H    2.750300     -0.9114000      -1.192100    
 H   -1.580000      -2.625800      0.6079000    
 H   -1.650500      -2.456000      -1.144000    
 H   0.9238000      0.7935000     -0.9456000    
 H    1.013300      0.6056000      0.8253000    
 H   -1.203100     -0.1809000      0.8544000    
 H   -1.292800      9.2000002E-03 -0.9177000    
 H   -5.268800      -2.696900     -9.3599997E-02
 H   -4.038100      -3.463700      -1.096300    
 H   -3.957600      -3.582200      0.6842000    
 H   -4.509100       1.164700       2.640000    
 H   -4.742000       1.501000      -2.339700    
 H   -5.400700       3.225800       1.558000    
 H   -5.516400       3.392600     -0.9130000    


%chk=000054145-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054145

0 1
O 0.386339 -0.961929 -0.172333
O -3.700175 -0.837309 1.129468
O -3.763126 -0.620048 -1.266548
N 5.186520 0.263694 -0.201498
C 5.657414 -0.591458 0.918824
C 6.115386 1.402482 -0.430447
C 7.071156 -1.145968 0.645884
C 7.539146 0.907639 -0.753899
C 8.071441 0.001724 0.378859
C 3.791773 0.736061 -0.016969
C 2.741705 -0.388673 -0.138032
C -3.362226 -1.568178 -0.154204
C -1.855553 -1.810854 -0.212513
C 1.316288 0.173071 -0.129782
C -1.016854 -0.530045 -0.150563
C -4.229094 -2.820732 -0.245120
C -4.474420 0.283120 0.752655
C -4.510575 0.411464 -0.654614
C -5.114728 1.196496 1.594561
C -5.188614 1.459482 -1.283335
C -5.812714 2.268220 0.968872
C -5.848653 2.396918 -0.439049
H 4.949986 -1.429188 1.048931
H 5.668858 -0.011531 1.882366
H 6.159289 2.075228 0.469165
H 5.722904 2.004498 -1.271858
H 7.396855 -1.757565 1.509527
H 7.026592 -1.810306 -0.238714
H 7.510291 0.336274 -1.701825
H 8.205570 1.778790 -0.905234
H 9.068056 -0.402856 0.119095
H 8.196160 0.603621 1.303207
H 3.662967 1.262033 0.967613
H 3.594902 1.489087 -0.806522
H 2.827675 -1.111057 0.694455
H 2.915730 -0.945100 -1.076607
H -1.574375 -2.466668 0.631659
H -1.620803 -2.354609 -1.145709
H 1.145199 0.834090 -1.010204
H 1.133209 0.776053 0.789760
H -1.230825 0.034716 0.781758
H -1.234435 0.123859 -1.021312
H -5.296387 -2.548789 -0.187460
H -4.046389 -3.339515 -1.201564
H -3.992084 -3.506148 0.586319
H -5.077706 1.088975 2.681870
H -5.207619 1.551061 -2.372580
H -6.330827 3.002831 1.593980
H -6.394228 3.230343 -0.893632


