%chk=000056844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056844

0 1
 O   -2.274100      -2.437900      0.5506000    
 O   -4.202100      -1.253100      0.7596000    
 N   0.8833000      -1.105200      -1.609500    
 N   -2.152300     -0.1442000      0.2675000    
 C  -0.4397000     -0.4947000      -1.470500    
 C  -0.7447000     -0.3003000      1.6799999E-02
 C    1.844900     -0.4445000     -0.7284000    
 C  -0.4577000      0.8255000      -2.239800    
 C    3.278700     -0.6924000      -1.198500    
 C   0.8182000      -2.535800      -1.315300    
 C    4.282200     -3.4699999E-02 -0.2850000    
 C   -2.736000       1.196700      0.2504000    
 C   -2.994400      -1.268400      0.5332000    
 C    4.793000     -0.7336000      0.8088000    
 C    4.699300       1.273100     -0.5336000    
 C   -4.065600       1.373600     -0.1330000    
 C   -1.963800       2.298700      0.6179000    
 C    5.720900     -0.1248000       1.653700    
 C    5.627300       1.881700      0.3114000    
 C   -4.622700       2.652300     -0.1491000    
 C   -2.521000       3.577400      0.6019000    
 C    6.138000       1.182900       1.405100    
 C   -3.850500       3.754000      0.2184000    
 C   -3.005800      -3.634000      0.8461000    
 C   -2.055400      -4.812100      0.8212000    
 H   -1.194200      -1.140500      -1.939300    
 H  -0.4257000      -1.162100      0.6109000    
 H  -0.1779000      0.5246000      0.4488000    
 H    1.716600      0.6443000     -0.7267000    
 H    1.756100     -0.7740000      0.3159000    
 H   0.1248000       1.618200      -1.760600    
 H  -7.1000002E-02  0.6908000      -3.256900    
 H   -1.483900       1.193400      -2.344300    
 H    3.413300     -0.3143000      -2.220800    
 H    3.508600      -1.763400      -1.246000    
 H   4.4300001E-02  -3.022300      -1.921000    
 H   0.6217000      -2.771400     -0.2646000    
 H    1.754200      -3.031500      -1.593000    
 H    4.474000      -1.752000       1.014300    
 H    4.307000       1.828500      -1.381300    
 H   -4.689500      0.5640000     -0.4942000    
 H  -0.9392000       2.224300      0.9618000    
 H    6.118300     -0.6686000       2.505800    
 H    5.951600       2.900000      0.1182000    
 H   -5.653100       2.792600     -0.4625000    
 H   -1.922900       4.435300      0.8953000    
 H    6.860300       1.656900       2.063300    
 H   -4.283800       4.749800      0.2042000    
 H   -3.461000      -3.546800       1.838700    
 H   -3.790600      -3.775900      9.4999999E-02
 H   -1.578500      -4.901000     -0.1605000    
 H   -1.252200      -4.674500       1.552600    
 H   -2.581500      -5.744400       1.044500    


%chk=000056844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056844

0 1
O -2.712278 -2.480038 0.227575
O -4.581483 -1.064746 0.195335
N 1.032869 -1.455636 -0.973731
N -2.375905 -0.201288 0.337826
C -0.343646 -0.890369 -1.052160
C -0.924334 -0.541972 0.362462
C 2.072428 -0.593366 -0.373386
C -0.417669 0.308695 -2.019394
C 3.481345 -0.837824 -0.990866
C 1.095054 -2.856044 -0.513481
C 4.516653 0.113805 -0.413487
C -2.795536 1.182385 0.395907
C -3.332711 -1.210700 0.244374
C 5.220922 -0.207316 0.776357
C 4.766264 1.370728 -1.024160
C -3.811764 1.671926 -0.464272
C -2.173719 2.068563 1.312171
C 6.148224 0.698305 1.339920
C 5.692583 2.280089 -0.465724
C -4.189793 3.029785 -0.407575
C -2.550738 3.428363 1.354356
C 6.387112 1.947129 0.720589
C -3.559678 3.918151 0.494336
C -3.657657 -3.630735 0.165807
C -2.804100 -4.895564 0.153033
H -0.976362 -1.698961 -1.465003
H -0.771958 -1.400101 1.037787
H -0.380564 0.326511 0.768778
H 1.806371 0.464194 -0.548727
H 2.146764 -0.728924 0.735275
H 0.161667 1.178718 -1.658172
H -0.019765 0.013506 -3.005508
H -1.462869 0.641841 -2.144144
H 3.390621 -0.711785 -2.085115
H 3.785007 -1.885303 -0.804782
H 0.295613 -3.440146 -1.001513
H 0.979342 -2.976685 0.592605
H 2.062859 -3.307835 -0.796668
H 5.047989 -1.178518 1.257663
H 4.236312 1.633028 -1.948808
H -4.313410 0.989157 -1.153959
H -1.415705 1.696654 2.009770
H 6.686595 0.429872 2.256286
H 5.876341 3.243060 -0.956056
H -4.977807 3.394592 -1.075751
H -2.063513 4.099647 2.070305
H 7.108453 2.649207 1.153778
H -3.854347 4.972419 0.530701
H -4.328117 -3.583353 1.042680
H -4.277078 -3.529884 -0.743741
H -2.136143 -4.913695 -0.725762
H -2.185166 -4.963599 1.064236
H -3.457775 -5.785744 0.109538


