%chk=000123723.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123723

0 1
 O   -5.389600      -2.836000      0.5910000    
 O   -4.571400      -2.255000      -1.441000    
 O    1.120200      0.2060000      0.5307000    
 N    3.998300     -0.6025000     -0.4235000    
 C   -5.217900      0.4928000     -0.2696000    
 C   -6.729600      0.2875000     -0.2616000    
 C   -5.067000       1.826400      0.4551000    
 C   -7.294500       1.678600     -0.5320000    
 C   -6.219300       2.669200     -8.1699997E-02
 C   -4.456300     -0.6400000      0.3960000    
 C   -2.948800     -0.4118000      0.4324000    
 C   -4.797000      -1.969100     -0.2722000    
 C   -2.316900     -0.3454000       1.655300    
 C   -2.269200     -0.2786000     -0.7593000    
 C  -0.9383000     -0.1358000       1.688200    
 C  -0.8905000     -6.8999998E-02 -0.7262000    
 C  -0.2251000      2.4000001E-03  0.4976000    
 C    1.787900      0.3388000     -0.7231000    
 C    3.256800      0.5235000     -0.4786000    
 C    5.930400      0.7846000     -3.5700001E-02
 C    3.754600       1.797600     -0.3269000    
 C    5.320700     -0.4762000     -0.2045000    
 C    5.117700       1.924400     -0.1015000    
 C    7.313900      0.8793000      0.1914000    
 C    6.128600      -1.608200     -0.1391000    
 C    8.097900     -0.2693000      0.2523000    
 C    7.504100      -1.514300      8.6700000E-02
 H   -4.899500      0.6179000      -1.314100    
 H   -7.073900     -6.3600004E-02  0.7192000    
 H   -7.064800     -0.4338000      -1.013500    
 H   -5.178400       1.700700       1.539300    
 H   -4.100500       2.305000      0.2690000    
 H   -8.239100       1.834100     -8.9999998E-04
 H   -7.494200       1.809200      -1.601900    
 H   -5.886900       3.268700     -0.9371000    
 H   -6.595200       3.361800      0.6781000    
 H   -4.811400     -0.7165000       1.434500    
 H   -2.861600     -0.4509000       2.588400    
 H   -2.769600     -0.3266000      -1.721100    
 H  -0.4252000     -8.1000000E-02   2.644600    
 H  -0.4023000      3.1199999E-02  -1.689400    
 H   -5.605100      -3.690300      0.1597000    
 H    1.407600       1.203200      -1.282900    
 H    1.663300     -0.5724000      -1.323000    
 H    3.121300       2.676100     -0.3761000    
 H    5.542900       2.917600      2.3399999E-02
 H    7.788700       1.849200      0.3224000    
 H    5.687700      -2.595300     -0.2655000    
 H    9.166500     -0.1923000      0.4280000    
 H    8.108300      -2.415800      0.1326000    


%chk=000123723-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123723

0 1
O -5.497134 -2.546205 1.504531
O -5.053592 -2.459348 -0.769782
O 1.058577 0.136052 0.809519
N 4.214012 -0.297008 -0.979538
C -5.351033 0.511450 -0.414571
C -6.902413 0.466511 -0.416899
C -5.057156 2.012450 -0.166950
C -7.331438 1.766022 -1.160349
C -6.121430 2.756724 -1.023653
C -4.690815 -0.436331 0.628364
C -3.159963 -0.321984 0.649779
C -5.084012 -1.881631 0.340736
C -2.496529 0.208395 1.785956
C -2.378501 -0.715174 -0.463445
C -1.096638 0.351608 1.810189
C -0.973016 -0.579901 -0.456071
C -0.330428 -0.042592 0.686991
C 1.893516 -0.268049 -0.325925
C 3.350738 -0.009593 0.015733
C 6.074028 0.400043 0.512467
C 3.756429 0.490043 1.296533
C 5.568533 -0.100239 -0.751059
C 5.116105 0.691912 1.537198
C 7.485392 0.579020 0.680001
C 6.492011 -0.403201 -1.802443
C 8.364516 0.275330 -0.362030
C 7.863530 -0.218441 -1.610285
H -4.982502 0.226570 -1.420989
H -7.266291 0.485743 0.630545
H -7.302681 -0.446610 -0.892296
H -5.202609 2.240003 0.909104
H -4.022744 2.296968 -0.425711
H -8.260447 2.186072 -0.734929
H -7.534664 1.551989 -2.225530
H -5.708223 2.995259 -2.021054
H -6.417657 3.715027 -0.560954
H -5.078911 -0.184605 1.632154
H -3.081416 0.511511 2.662352
H -2.869781 -1.148937 -1.341925
H -0.580605 0.760668 2.684103
H -0.401225 -0.898038 -1.332529
H -5.711714 -3.493195 1.279714
H 1.620350 0.306247 -1.234137
H 1.752190 -1.346284 -0.544792
H 2.992732 0.699590 2.047627
H 5.461683 1.072687 2.505593
H 7.865311 0.957487 1.636851
H 6.084822 -0.779218 -2.746110
H 9.443276 0.413253 -0.230350
H 8.566116 -0.451953 -2.417834


