%chk=000122211.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122211

0 1
 O   -2.727600       2.739600      0.6662000    
 O   -3.678900      -1.339700       2.533300    
 O    5.734200       1.554300      0.3994000    
 N   0.8606000      0.3675000      6.0000001E-03
 N    3.641200     -0.2815000     -6.9600001E-02
 C   -2.704600      0.4608000       1.313700    
 C   -4.124000       1.332400     -0.7123000    
 C   -1.416500     -0.1272000      0.7539000    
 C  -0.3590000      0.9531000      0.5614000    
 C   -3.181600       1.608700      0.4612000    
 C    1.415200     -0.6346000      0.9242000    
 C    1.859400       1.410900     -0.2569000    
 C   -4.889900      1.7300000E-02 -0.5919000    
 C   -3.716600     -0.6292000       1.531700    
 C    2.661100      -1.296000      0.3297000    
 C    3.119200      0.8176000     -0.8916000    
 C   -4.717900     -0.8780000      0.4739000    
 C   -3.261700       1.337100      -1.989000    
 C   -5.123900       2.511200     -0.7629000    
 C   -5.831000     -0.3326000      -1.584400    
 C    4.985200     -0.6385000     -0.2262000    
 C   -5.475400      -2.059000      0.5545000    
 C   -6.579600      -1.508600      -1.507700    
 C   -6.404600      -2.370200     -0.4341000    
 C    6.027600      0.2817000      9.3999999E-03
 C    5.335600      -1.943700     -0.6277000    
 C    7.363100     -8.8000000E-02 -0.1499000    
 C    6.671200      -2.313400     -0.7869000    
 C    7.684900      -1.385500     -0.5481000    
 C    6.834600       2.433600      0.6206000    
 H   -2.516400      0.8907000       2.308300    
 H   -1.606800     -0.6455000     -0.1944000    
 H   -1.100100     -0.8916000       1.469900    
 H  -0.1603000       1.469500       1.509400    
 H  -0.7097000       1.697100     -0.1598000    
 H   0.7259000      -1.461500       1.110300    
 H    1.663500     -0.1816000       1.893500    
 H    2.127900       1.935000      0.6703000    
 H    1.449600       2.157800     -0.9478000    
 H    3.085400      -1.966200       1.087800    
 H    2.377400      -1.902800     -0.5400000    
 H    2.882500      0.4289000      -1.891100    
 H    3.842200       1.625500      -1.037300    
 H   -3.873400       1.306800      -2.897600    
 H   -2.639300       2.237900      -2.047500    
 H   -2.587400      0.4741000      -2.021600    
 H   -4.608500       3.475900     -0.8408000    
 H   -5.802000       2.448400      -1.620700    
 H   -5.738900       2.542900      0.1449000    
 H   -5.997400      0.3173000      -2.440500    
 H   -5.346100      -2.757300       1.377700    
 H   -7.298100      -1.746500      -2.286500    
 H   -6.984200      -3.286000     -0.3687000    
 H    4.574900      -2.691700     -0.8367000    
 H    8.203600      0.5766000      1.6799999E-02
 H    6.922100      -3.322700      -1.100100    
 H    8.724500      -1.674500     -0.6734000    
 H    7.403400       2.608900     -0.2991000    
 H    7.468000       2.089400       1.445300    
 H    6.417800       3.399800      0.9237000    


%chk=000122211-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122211

0 1
O -3.014760 2.922345 0.843298
O -4.079545 -1.146582 2.717461
O 5.700312 1.582007 0.019963
N 0.831922 0.367884 0.429372
N 3.630552 -0.299103 0.056863
C -2.912250 0.601059 1.504683
C -4.122702 1.414564 -0.721010
C -1.566486 -0.054651 1.010535
C -0.375015 0.925200 1.082424
C -3.336961 1.732146 0.578066
C 1.480835 -0.711672 1.213274
C 1.833643 1.415393 0.099428
C -4.742903 0.006185 -0.731369
C -3.949457 -0.513144 1.629454
C 2.650396 -1.336911 0.431197
C 2.999328 0.813573 -0.698842
C -4.713403 -0.864533 0.398208
C -3.108232 1.597425 -1.900402
C -5.254652 2.482362 -0.863305
C -5.454602 -0.424491 -1.880885
C 4.952243 -0.701861 -0.266011
C -5.395267 -2.112299 0.367717
C -6.114811 -1.669741 -1.914081
C -6.093534 -2.520015 -0.780338
C 6.037123 0.245322 -0.287171
C 5.281159 -2.063778 -0.515445
C 7.355919 -0.169531 -0.569691
C 6.606382 -2.480101 -0.774979
C 7.648149 -1.533420 -0.811953
C 6.791306 2.552294 0.113390
H -2.722317 1.026907 2.507688
H -1.665313 -0.426218 -0.025522
H -1.386864 -0.931096 1.661075
H -0.189115 1.200365 2.152193
H -0.636958 1.862566 0.558747
H 0.742707 -1.504559 1.430169
H 1.868242 -0.322568 2.189331
H 2.242338 1.898220 1.022058
H 1.340928 2.195918 -0.509847
H 3.144404 -2.085172 1.076037
H 2.241809 -1.861424 -0.465528
H 2.610137 0.435370 -1.672600
H 3.754393 1.588992 -0.891214
H -3.624232 1.488640 -2.870255
H -2.671562 2.609965 -1.851955
H -2.291672 0.855362 -1.861613
H -4.819480 3.492487 -0.787257
H -5.760618 2.380136 -1.839032
H -6.013161 2.367521 -0.068746
H -5.502109 0.222686 -2.763315
H -5.349958 -2.738984 1.264554
H -6.650767 -1.976348 -2.819302
H -6.612090 -3.484121 -0.802245
H 4.481811 -2.810490 -0.526109
H 8.170328 0.561291 -0.581689
H 6.813339 -3.539627 -0.961048
H 8.678131 -1.840478 -1.021484
H 7.306865 2.680823 -0.858674
H 7.527257 2.255000 0.885551
H 6.309238 3.497612 0.404381


