%chk=000173815.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173815

0 1
 O   0.7358000     -0.7100000      -1.414600    
 O   -1.879500      -1.436800     -7.9700001E-02
 O   -1.992800      -3.590400     -0.8583000    
 O   3.5999999E-03   2.446000      0.1881000    
 O    1.318000       3.657900      -1.196000    
 N  -1.4600000E-02  -2.754200      2.4000001E-03
 N    1.719200      0.4088000      0.3743000    
 C   0.6786000      -1.714900      0.7497000    
 C    1.920600      -2.404600       1.303100    
 C    2.208000      -3.499300      0.2768000    
 C   0.8207000      -3.938600     -0.1651000    
 C    1.029600     -0.6314000     -0.2246000    
 C    2.192000       1.565400     -0.3517000    
 C    3.511100       2.090800      0.2346000    
 C   -1.352000      -2.670200     -0.3552000    
 C    4.649000       1.071400      0.4697000    
 C    1.140600       2.651000     -0.5186000    
 C    5.028300      0.4214000     -0.8662000    
 C    5.895600       1.675300       1.112300    
 C   -3.260100      -1.256400     -0.4144000    
 C   -3.674000      0.1391000     -5.0099999E-02
 C   -4.182900      0.4063000       1.221000    
 C   -3.549800       1.169400     -0.9822000    
 C   -4.567500       1.703500       1.559900    
 C   -3.934400       2.466700     -0.6432000    
 C   -4.443200       2.733600      0.6279000    
 H   4.0700000E-02  -1.305200       1.540400    
 H    2.785300      -1.753400       1.455000    
 H    1.680000      -2.873400       2.265500    
 H    2.800000      -4.322800      0.6853000    
 H    2.755300      -3.074500     -0.5733000    
 H   0.4191000      -4.723500      0.4850000    
 H   0.7830000      -4.286200      -1.201400    
 H    2.381900       1.225900      -1.378300    
 H    3.883900       2.903200     -0.4041000    
 H    3.286400       2.564200       1.200900    
 H    1.826300      0.4101000       1.384700    
 H    4.288100      0.2849000       1.143100    
 H    5.870300     -0.2673000     -0.7351000    
 H    4.201000     -0.1640000      -1.278800    
 H    5.321500       1.173300      -1.606700    
 H    6.660300      0.9102000       1.282900    
 H    5.649300       2.125200       2.079700    
 H    6.329300       2.455700      0.4779000    
 H   -3.405400      -1.425800      -1.488500    
 H   -3.871500      -1.986700      0.1301000    
 H  -0.6394000       3.177500      7.0900001E-02
 H   -4.282200     -0.3875000       1.956600    
 H   -3.151500      0.9745000      -1.974400    
 H   -4.962900       1.911700       2.549700    
 H   -3.836100       3.269300      -1.368300    
 H   -4.742000       3.743900      0.8920000    


%chk=000173815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173815

0 1
O 3.075984 -1.384935 -0.867791
O -1.147621 -1.223869 1.096541
O -2.318214 -2.688396 -0.349624
O -0.309423 2.006089 -0.312635
O 0.805558 2.707347 -2.234953
N 0.010868 -2.762971 -0.175956
N 1.427085 -0.004884 0.033986
C 1.292580 -2.426116 0.509496
C 2.103134 -3.732436 0.367189
C 1.650523 -4.290431 -1.008547
C 0.146092 -3.933165 -1.092443
C 2.019122 -1.229519 -0.177718
C 1.938324 1.226094 -0.597432
C 2.734727 2.130218 0.397319
C -1.227779 -2.274219 0.133260
C 4.056917 1.506999 0.916397
C 0.786029 2.044725 -1.178060
C 5.093839 1.311863 -0.214894
C 4.631127 2.394871 2.046931
C -2.478531 -0.734204 1.598804
C -2.936219 0.511353 0.870298
C -2.926331 1.769096 1.522173
C -3.372690 0.433479 -0.479010
C -3.326510 2.939623 0.836171
C -3.761362 1.601903 -1.170151
C -3.735657 2.860113 -0.517051
H 1.079328 -2.156028 1.558815
H 3.185971 -3.537721 0.395120
H 1.831848 -4.426188 1.183783
H 1.814010 -5.376744 -1.100465
H 2.215464 -3.781147 -1.806760
H -0.507203 -4.750666 -0.734813
H -0.178267 -3.665128 -2.112666
H 2.595444 0.925730 -1.430575
H 2.964983 3.087021 -0.115024
H 2.069439 2.367386 1.251122
H 0.531375 0.041036 0.538935
H 3.822059 0.510779 1.344093
H 6.051587 0.945007 0.198568
H 4.749492 0.567992 -0.953695
H 5.294763 2.269370 -0.733975
H 5.555715 1.953977 2.463183
H 3.908282 2.516494 2.875894
H 4.882798 3.403580 1.665433
H -3.197386 -1.562717 1.473175
H -2.298178 -0.538335 2.667877
H -1.097153 2.506213 -0.663144
H -2.590525 1.837420 2.564009
H -3.391746 -0.542735 -0.976356
H -3.316588 3.906688 1.350752
H -4.090518 1.534734 -2.212748
H -4.045967 3.764453 -1.052139


