%chk=000037159.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037159

0 1
 O    6.645800     -0.7830000       1.295800    
 N    6.681900     -9.6000001E-02  0.1021000    
 C    1.678100     -0.2426000     -8.4200002E-02
 C   0.3855000      0.5747000     -0.1167000    
 C    2.910900      0.6622000     -0.1394000    
 C  -0.8468000     -0.3324000     -9.5299996E-02
 C    4.202900     -0.1563000     -6.6500001E-02
 C   -2.138400      0.4876000     -9.4200000E-02
 C    5.450500      0.7140000     -5.5199999E-02
 C   -3.406600     -0.3715000     -0.1050000    
 C   -4.731800      0.3918000     -1.8800000E-02
 C   -5.959500     -0.5211000      2.8800000E-02
 C   -7.254300      0.2963000      2.2800000E-02
 C    7.900100      0.7939000      9.7800002E-02
 C    6.800800      -1.094900      -1.022200    
 C   -8.516500     -0.5660000      9.2200004E-02
 C   -9.802400      0.2433000      0.1579000    
 H    1.696000     -0.9379000     -0.9324000    
 H    1.704600     -0.8475000      0.8303000    
 H   0.3662000       1.197600      -1.019200    
 H   0.3592000       1.252600      0.7451000    
 H    2.899800       1.250600      -1.064800    
 H    2.881600       1.371700      0.6964000    
 H  -0.8201000     -0.9725000      0.7948000    
 H  -0.8329000     -0.9936000     -0.9701000    
 H    4.172500     -0.7900000      0.8280000    
 H    4.209100     -0.8307000     -0.9296000    
 H   -2.152700       1.150300     -0.9683000    
 H   -2.153800       1.133500      0.7924000    
 H    5.550000       1.282400     -0.9869000    
 H    5.430300       1.412000      0.7902000    
 H   -3.409800     -0.9831000      -1.016200    
 H   -3.357200      -1.073800      0.7371000    
 H   -4.721000       1.028400      0.8746000    
 H   -4.807500       1.062300     -0.8837000    
 H   -5.918400      -1.145500      0.9292000    
 H   -5.950900      -1.196200     -0.8351000    
 H   -7.246600      0.9865000      0.8758000    
 H   -7.291900      0.9137000     -0.8832000    
 H    8.776600      0.1602000      0.2576000    
 H    7.943800       1.301700     -0.8689000    
 H    7.789000       1.506800      0.9194000    
 H    6.053500      -1.878700     -0.8814000    
 H    6.674700     -0.5642000      -1.969100    
 H    7.797500      -1.541700     -0.9570000    
 H   -8.464800      -1.214400      0.9750000    
 H   -8.554200      -1.224700     -0.7835000    
 H   -10.66940     -0.4229000      0.2042000    
 H   -9.815900      0.8833000       1.045700    
 H   -9.907800      0.8800000     -0.7262000    


%chk=000037159-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037159

0 1
O 6.572792 -0.683236 1.412807
N 6.779637 -0.071989 0.137938
C 1.690370 -0.283079 -0.228115
C 0.377504 0.528476 -0.152956
C 2.954299 0.605921 -0.233185
C -0.890455 -0.354858 -0.143701
C 4.262644 -0.216600 -0.277933
C -2.201457 0.459849 -0.066924
C 5.500040 0.686490 -0.308519
C -3.471788 -0.419957 -0.053311
C -4.781586 0.396962 0.021535
C -6.052933 -0.481617 0.035901
C -7.362342 0.336065 0.109512
C 7.919541 0.931201 0.250229
C 7.148443 -1.143265 -0.883027
C -8.634112 -0.542814 0.123043
C -9.937236 0.282379 0.196570
H 1.679811 -0.913740 -1.141787
H 1.741555 -0.981902 0.632048
H 0.329213 1.228719 -1.013481
H 0.389629 1.159443 0.760386
H 2.906856 1.300366 -1.099030
H 2.956850 1.239467 0.677898
H -0.842921 -1.054334 0.716964
H -0.904353 -0.986656 -1.056599
H 4.360207 -0.840758 0.632244
H 4.239665 -0.889628 -1.158326
H -2.249256 1.158308 -0.928820
H -2.185560 1.093368 0.844726
H 5.680632 1.130825 -1.307668
H 5.390181 1.492874 0.437088
H -3.487652 -1.054969 -0.963995
H -3.425319 -1.116991 0.809621
H -4.765390 1.032241 0.931973
H -4.827875 1.093883 -0.841627
H -6.007257 -1.177831 0.899592
H -6.069012 -1.117469 -0.874204
H -7.348214 0.971479 1.019953
H -7.409244 1.032819 -0.753780
H 8.810952 0.372592 0.570786
H 8.103003 1.455803 -0.706678
H 7.639062 1.641349 1.041298
H 6.332508 -1.877975 -0.889642
H 7.305477 -0.716732 -1.891533
H 8.062544 -1.630326 -0.513658
H -8.586300 -1.238316 0.985884
H -8.647006 -1.177586 -0.786617
H -10.830825 -0.368751 0.207770
H -9.960559 0.904391 1.111456
H -10.025065 0.962308 -0.672004


