%chk=000184633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184633

0 1
O 6.583375 -2.235542 0.663362
O -8.169116 -0.713085 0.861005
O -5.069435 -2.425955 0.579753
O -6.179239 1.896165 -0.501492
N 0.520203 1.149145 -0.517449
N 3.404995 0.956237 -0.987998
N -5.584613 -0.264925 -0.001545
N 4.571541 1.354491 1.057675
C 1.464853 2.131270 0.112920
C 1.187723 -0.184606 -0.679563
C 2.723270 2.269846 -0.766939
C 2.437317 -0.020198 -1.569592
C -0.736911 1.027610 0.292932
C -1.858524 0.483634 -0.609532
C -3.183096 0.398873 0.156009
C 4.288698 0.497624 0.014358
C -4.298181 -0.125034 -0.759758
C 4.989607 -0.735733 -0.082683
C 5.975404 -1.009449 0.907747
C 5.022109 -1.867989 -0.985668
C -5.859031 -1.510725 0.633329
C -6.466619 0.854156 0.041279
C 5.533200 1.036909 1.969553
C 6.278717 -0.146349 1.959555
C -7.176808 -1.594982 1.395690
C -7.755855 0.656850 0.831137
C 5.966074 -2.728823 -0.516247
H 1.762270 1.854052 1.148230
H 0.950943 3.114863 0.170882
H 0.468213 -0.871443 -1.176712
H 1.468500 -0.653778 0.288154
H 3.431457 2.996774 -0.309242
H 2.451759 2.662374 -1.773495
H 2.141681 0.375422 -2.570666
H 2.919929 -1.004390 -1.745465
H -1.023013 2.037639 0.661442
H -0.616232 0.386723 1.192130
H -1.961509 1.140805 -1.497709
H -1.579878 -0.512178 -1.006419
H -3.460668 1.396153 0.552434
H -3.073181 -0.265712 1.035948
H -4.028560 -1.121347 -1.180635
H -4.466104 0.572208 -1.613320
H 4.402494 -1.968528 -1.859733
H 5.688142 1.791226 2.752454
H 7.032147 -0.375364 2.701528
H -7.649017 -2.593238 1.264072
H -7.018486 -1.402532 2.473845
H -7.652249 1.059494 1.856647
H -8.612276 1.153269 0.324164
H 6.363682 -3.675710 -0.805576


%chk=000184633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184633

0 1
O 7.330904 -1.867938 -0.183627
O -8.578718 -0.441632 0.404322
O -5.495222 -2.240301 1.114693
O -6.157520 1.799930 -1.129946
N 0.404571 0.948227 -0.104026
N 3.281894 0.749523 -0.360666
N -5.839060 -0.291508 -0.132079
N 5.053114 1.387586 1.048315
C 1.298418 1.893699 0.617474
C 1.068281 -0.371294 -0.224820
C 2.626674 2.056713 -0.142077
C 2.407419 -0.253636 -0.990191
C -0.942671 0.872439 0.514022
C -1.997342 0.210758 -0.397120
C -3.413244 0.299699 0.214870
C 4.559893 0.494337 0.129442
C -4.459629 -0.377349 -0.695112
C 5.378649 -0.617280 -0.295515
C 6.638476 -0.767167 0.351668
C 5.325843 -1.671316 -1.305064
C -6.262692 -1.306227 0.763662
C -6.617035 0.855132 -0.436762
C 6.285441 1.200273 1.605828
C 7.139471 0.113931 1.325159
C -7.694039 -1.192040 1.293154
C -8.033689 0.888499 0.140698
C 6.495917 -2.391060 -1.203435
H 1.513184 1.546870 1.659812
H 0.794322 2.876079 0.679849
H 0.411881 -1.064599 -0.780188
H 1.268910 -0.820263 0.783082
H 3.323282 2.691158 0.426017
H 2.416749 2.515231 -1.130202
H 2.195105 0.032532 -2.041347
H 2.895130 -1.238433 -0.978349
H -1.264916 1.911516 0.722770
H -0.916587 0.338041 1.500214
H -1.973001 0.716859 -1.381608
H -1.746320 -0.854587 -0.570792
H -3.690147 1.362035 0.357152
H -3.424662 -0.190353 1.207582
H -4.224826 -1.448333 -0.815708
H -4.480603 0.114122 -1.682192
H 4.547862 -1.863137 -2.039516
H 6.593028 1.968742 2.323875
H 8.112650 -0.011152 1.801615
H -8.114746 -2.205175 1.375845
H -7.662467 -0.736430 2.308646
H -8.026786 1.511052 1.063823
H -8.698072 1.361757 -0.597439
H 6.896624 -3.249333 -1.735014


