%chk=000149827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149827

0 1
 O   -1.789600       1.047000     -0.7693000    
 O   0.6145000      -1.660400     -0.1127000    
 O    5.416000      -1.458100      0.4407000    
 O   -1.654800      -1.667300     -0.3860000    
 N   -4.965200      3.4000002E-02  0.1997000    
 C   -4.664600       1.211000     -0.6062000    
 C   -3.711100       2.136300      0.1429000    
 C   -5.880200     -0.8592000     -0.5133000    
 C   -5.538900      0.4244000       1.488900    
 C   -2.388100       1.447100      0.4480000    
 C    4.240900      0.4302000      4.2199999E-02
 C    1.837000      0.4379000     -0.2492000    
 C   -5.283000      -1.261700      -1.847900    
 C   -5.785600     -0.8035000       2.344000    
 C    1.830800     -0.9429000     -6.2600002E-02
 C    4.171300     -0.9483000      0.2211000    
 C    3.049800       1.143100     -0.1986000    
 C  -0.5757000      0.4327000     -0.5394000    
 C    5.615700      0.7655000      0.1624000    
 C   0.5738000       1.117000     -0.4937000    
 C    2.990400      -1.685100      0.1783000    
 C  -0.6055000      -1.033600     -0.3443000    
 C    6.283100     -0.4130000      0.4028000    
 C    6.219000       2.106900      5.2200001E-02
 H   -4.184200      0.9519000      -1.554800    
 H   -5.579000       1.766500     -0.8532000    
 H   -3.503700       2.983200     -0.5262000    
 H   -4.145600       2.586100       1.040000    
 H   -6.026200      -1.792200      4.0100001E-02
 H   -6.866100     -0.4035000     -0.6686000    
 H   -4.845400       1.031900       2.075900    
 H   -6.468300      0.9957000       1.372900    
 H   -2.531900      0.5906000       1.117600    
 H   -1.738800       2.168000      0.9622000    
 H   -5.352300     -0.4674000      -2.597700    
 H   -4.238400      -1.577500      -1.753900    
 H   -5.840900      -2.113700      -2.253700    
 H   -6.664100      -1.371300       2.022500    
 H   -4.916200      -1.470000       2.364400    
 H   -5.980900     -0.4960000       3.378000    
 H    3.076800       2.220100     -0.3416000    
 H   0.5847000       2.192300     -0.6396000    
 H    2.976100      -2.758500      0.3222000    
 H    7.321500     -0.6656000      0.5621000    
 H    7.304800       2.072000      0.1889000    
 H    6.018300       2.539100     -0.9335000    
 H    5.806200       2.778000      0.8123000    


%chk=000149827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149827

0 1
O -1.656668 1.206388 0.540466
O 0.875091 -1.530253 1.036805
O 5.644403 -1.523799 -0.004146
O -1.384787 -1.615586 1.426088
N -5.288330 0.284286 0.083830
C -4.570470 1.575768 -0.066699
C -3.836629 1.985734 1.232414
C -5.292942 -0.545651 -1.150638
C -6.638080 0.453139 0.684399
C -2.716474 1.011401 1.589567
C 4.350119 0.364208 -0.401266
C 1.962096 0.464962 0.085864
C -3.922208 -1.182548 -1.451616
C -7.149399 -0.810069 1.404204
C 2.029261 -0.891103 0.557896
C 4.349949 -0.983141 0.083421
C 3.143842 1.090963 -0.398940
C -0.460313 0.503021 0.605945
C 5.723836 0.660946 -0.807939
C 0.682685 1.131708 0.145133
C 3.218077 -1.645573 0.567743
C -0.427174 -0.909490 1.048630
C 6.449187 -0.483566 -0.554057
C 6.225952 1.956529 -1.384207
H -3.817022 1.477054 -0.867154
H -5.261603 2.397787 -0.376185
H -3.424807 3.008328 1.125750
H -4.551750 2.004445 2.078602
H -6.029255 -1.356583 -1.003630
H -5.643136 0.042748 -2.037776
H -6.574926 1.274299 1.423623
H -7.387179 0.780378 -0.082482
H -3.074540 -0.029583 1.560291
H -2.266153 1.237290 2.575648
H -3.145847 -0.421276 -1.649167
H -3.585806 -1.788473 -0.592475
H -3.989614 -1.832955 -2.344006
H -7.273370 -1.661250 0.710751
H -6.436130 -1.115219 2.189669
H -8.132945 -0.615677 1.871966
H 3.099742 2.123790 -0.760744
H 0.596560 2.170854 -0.189552
H 3.231861 -2.674211 0.932391
H 7.496024 -0.742643 -0.689197
H 7.306121 1.911635 -1.602734
H 5.701094 2.204121 -2.326142
H 6.058056 2.796570 -0.684044


