%chk=000131498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131498

0 1
 O   -3.537300     -0.2438000     -0.1205000    
 O   0.6892000     -0.4353000      0.4764000    
 O   -2.364100      -1.665400      -1.513200    
 O   -1.162100     -0.3143000       1.852700    
 O    1.090500       2.753000       1.331200    
 N   0.2913000       1.748100     -0.6038000    
 N    2.774600       4.279200     -2.9200001E-02
 N   -2.400100       2.945600       1.242400    
 C   -1.701500      0.6368000      -1.272100    
 C  -0.9405000       1.170500     -3.7700001E-02
 C  -0.5895000      0.3274000      -2.272800    
 C   0.4098000       1.444300      -2.028200    
 C   -2.550500     -0.5688000      -1.003600    
 C  -0.5120000      6.2100001E-02  0.8870000    
 C    1.200900       2.503100      0.1295000    
 C   -1.756400       2.162700      0.6777000    
 C    2.392200       3.017900     -0.6399000    
 C   -4.427600      -1.309300      0.2261000    
 C    3.524700       2.013500     -0.5723000    
 C   -5.125800      -1.792600      -1.044200    
 C   -5.445200     -0.7536000       1.220000    
 C   -3.613900      -2.435200      0.8625000    
 C    1.217600      -1.501300       1.271600    
 C    2.533100      -1.936500      0.6958000    
 C    2.573200      -2.942000     -0.2701000    
 C    3.716000      -1.335000       1.125900    
 C    3.796000      -3.346500     -0.8057000    
 C    4.938800      -1.739500      0.5901000    
 C    4.978700      -2.745200     -0.3756000    
 H   -2.344400       1.411100      -1.715100    
 H  -0.1203000     -0.6441000      -2.074600    
 H  -0.9457000      0.3135000      -3.307800    
 H    1.422400       1.147100      -2.306800    
 H   0.1343000       2.347100      -2.584500    
 H    2.137500       3.225800      -1.682200    
 H    4.398500       2.368600      -1.129600    
 H    3.235100       1.044600     -0.9900000    
 H    3.838900       1.834100      0.4627000    
 H   -5.477700     -0.9457000      -1.644700    
 H   -4.502500      -2.411200      -1.694700    
 H   -5.996100      -2.410200     -0.7920000    
 H   -6.000000      8.3200000E-02  0.7805000    
 H   -4.942300     -0.3576000       2.109800    
 H   -6.163000      -1.516500       1.538300    
 H   -2.966900      -2.987700      0.1785000    
 H   -2.980400      -2.056200       1.669900    
 H   -4.286500      -3.182600       1.301300    
 H    3.598900       4.654300     -0.4970000    
 H    2.034500       4.967600     -0.1629000    
 H    1.351300      -1.160300       2.305800    
 H   0.5115000      -2.341000       1.280300    
 H    1.658000      -3.415800     -0.6153000    
 H    3.697300     -0.5487000       1.875900    
 H    3.827100      -4.128800      -1.558400    
 H    5.859700      -1.270300      0.9239000    
 H    5.930700      -3.059500     -0.7931000    


%chk=000131498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131498

0 1
O -3.390611 -0.543193 -0.530737
O 1.039358 -0.025064 0.709322
O -1.449319 -1.838245 -0.786328
O -0.903727 -0.025680 2.012978
O 0.867517 3.081617 1.341578
N 0.291057 2.156383 -0.689328
N 2.393120 5.005068 0.078726
N -2.674960 2.934976 1.043072
C -1.429236 0.583594 -1.254206
C -0.786874 1.378736 -0.029814
C -0.253730 0.439402 -2.242380
C 0.493238 1.783621 -2.115514
C -2.068001 -0.745503 -0.837782
C -0.232007 0.393952 1.049965
C 1.088544 2.971139 0.094070
C -1.808660 2.248098 0.600624
C 2.269716 3.694933 -0.575264
C -4.268330 -1.655331 0.083828
C 3.537366 2.789384 -0.442575
C -4.445432 -2.771532 -0.962598
C -5.577955 -0.897312 0.350705
C -3.612733 -2.144079 1.388571
C 1.663103 -1.078836 1.590747
C 2.451919 -2.024805 0.718449
C 1.791234 -2.815588 -0.258672
C 3.852647 -2.151216 0.885255
C 2.529602 -3.719056 -1.052651
C 4.589632 -3.062938 0.094536
C 3.928752 -3.848451 -0.876777
H -2.222405 1.229172 -1.668136
H 0.391267 -0.397693 -1.929334
H -0.605305 0.250527 -3.270070
H 1.566099 1.678433 -2.343601
H 0.063030 2.556010 -2.782298
H 2.052141 3.845493 -1.650543
H 4.406976 3.300804 -0.894768
H 3.417613 1.808255 -0.940807
H 3.750573 2.608291 0.625822
H -4.865025 -2.365061 -1.899859
H -3.487431 -3.269626 -1.180109
H -5.151500 -3.525778 -0.569826
H -5.994757 -0.491907 -0.587253
H -5.404769 -0.058909 1.046309
H -6.319892 -1.581871 0.799085
H -2.699863 -2.726968 1.189780
H -3.349312 -1.291175 2.036791
H -4.331428 -2.786952 1.928890
H 3.269599 5.497090 -0.110430
H 2.134848 4.976181 1.071448
H 2.303432 -0.540619 2.309776
H 0.839895 -1.575430 2.135092
H 0.708549 -2.712327 -0.399834
H 4.368122 -1.538400 1.635317
H 2.014714 -4.327599 -1.804567
H 5.672162 -3.157579 0.234541
H 4.497438 -4.555737 -1.491014


