%chk=000088097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088097

0 1
 O   -3.349200       1.460000      0.2562000    
 O   -3.657600       3.434700     -0.9023000    
 N   0.1265000      0.1956000      0.1935000    
 C   0.7381000      -1.011200      0.7487000    
 C   0.8152000       1.389200      0.6829000    
 C   -1.295000      0.2505000      0.5326000    
 C   5.2400000E-02  -2.261200      0.2647000    
 C    2.270900       1.394400      0.2981000    
 C   -1.965700       1.470600     -7.1699999E-02
 C   -1.014200      -2.778600      0.9864000    
 C    3.204700      0.8192000       1.148900    
 C   0.4967000      -2.878600     -0.8960000    
 C    2.658700       1.974400     -0.9015000    
 C   -1.649300      -3.937000      0.5382000    
 C    4.553300      0.8243000      0.7927000    
 C  -0.1384000      -4.036800      -1.344300    
 C    4.007200       1.979400      -1.257800    
 C   -1.211300      -4.565900     -0.6271000    
 C    4.954600       1.404400     -0.4106000    
 C   -4.083200       2.508000     -0.2262000    
 C   -5.514400       2.364600      0.1948000    
 H    1.781800      -1.122200      0.4390000    
 H   0.7377000     -0.9986000       1.847900    
 H   0.4027000       2.309700      0.2586000    
 H   0.7197000       1.491600       1.773100    
 H   -1.850000     -0.5937000      0.1132000    
 H   -1.462000      0.2376000       1.618100    
 H   -1.850200       1.470700      -1.162700    
 H   -1.563700       2.402600      0.3342000    
 H   -1.357000      -2.310000       1.904700    
 H    2.910400      0.3780000       2.097100    
 H    1.329500      -2.474400      -1.464800    
 H    1.929800       2.422800      -1.570800    
 H   -2.482500      -4.351100       1.098500    
 H    5.291400      0.3797000       1.453900    
 H   0.2021000      -4.526300      -2.252100    
 H    4.319800       2.430500      -2.195100    
 H   -1.705300      -5.468200     -0.9757000    
 H    6.004700       1.408900     -0.6877000    
 H   -6.093400       3.206900     -0.1946000    
 H   -5.929200       1.439000     -0.2122000    
 H   -5.581800       2.370300       1.285500    


%chk=000088097-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088097

0 1
O -3.331569 1.650395 0.237807
O -3.518671 2.963839 -1.677544
N 0.082646 0.196614 0.742095
C 0.531186 -1.139864 1.207306
C 0.963836 1.290914 1.221868
C -1.357373 0.462057 0.982060
C -0.087046 -2.289279 0.418827
C 2.346865 1.281324 0.576805
C -1.927240 1.325948 -0.148935
C -0.517649 -3.466806 1.078160
C 3.507839 1.504015 1.356825
C -0.198402 -2.217013 -0.993391
C 2.487932 1.094970 -0.822064
C -1.040811 -4.556422 0.343581
C 4.786651 1.546209 0.753808
C -0.723931 -3.300874 -1.729495
C 3.762707 1.133354 -1.427118
C -1.145573 -4.476757 -1.063742
C 4.917775 1.361092 -0.641172
C -4.031618 2.485493 -0.640462
C -5.456559 2.686835 -0.171427
H 1.631555 -1.166268 1.083431
H 0.331166 -1.289032 2.298149
H 0.462127 2.248129 0.979899
H 1.078136 1.271353 2.335201
H -1.898377 -0.499386 0.998468
H -1.542246 0.961280 1.961988
H -1.931317 0.779426 -1.107829
H -1.369888 2.269817 -0.289246
H -0.443849 -3.531896 2.171295
H 3.411794 1.642852 2.441370
H 0.125402 -1.299758 -1.497457
H 1.589274 0.910478 -1.421328
H -1.370096 -5.460821 0.867899
H 5.676132 1.717808 1.370658
H -0.803599 -3.232284 -2.820619
H 3.858009 0.987982 -2.509322
H -1.553659 -5.318317 -1.634883
H 5.907473 1.390613 -1.110745
H -5.797233 3.697116 -0.446674
H -6.113256 1.957277 -0.680083
H -5.544043 2.531391 0.914333


