%chk=000202137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202137

0 1
O -2.585902 -3.135711 0.518233
O -1.701424 2.284045 0.653015
O -0.581845 2.001280 -1.293048
N -1.095621 -0.720705 0.203199
C -0.248117 0.443999 0.636695
C -0.396506 -2.040999 0.318309
C -2.369700 -0.749802 1.000526
C -1.340672 -3.134201 -0.209357
C -3.263099 -1.864844 0.437899
C 1.226743 0.269167 0.356474
C -0.810929 1.626018 -0.172887
C 2.111091 0.096408 1.430762
C 1.725916 0.270578 -0.955900
C 3.477265 -0.074753 1.197849
C 3.089499 0.100248 -1.188787
C 3.977342 -0.074646 -0.113402
C -2.422894 3.436441 0.116438
C 5.437695 -0.249275 -0.373751
C -3.555505 2.965431 -0.772099
H -0.387125 0.683219 1.730542
H -0.082865 -2.274071 1.357951
H 0.523637 -2.017218 -0.307075
H -2.875161 0.237865 0.896468
H -2.197108 -0.917598 2.085384
H -1.554765 -3.003201 -1.285179
H -0.950080 -4.148197 -0.014635
H -4.161460 -2.032566 1.056818
H -3.547289 -1.673214 -0.612072
H 1.739283 0.095500 2.454633
H 1.036517 0.419601 -1.794609
H 4.154236 -0.205699 2.039448
H 3.467180 0.108448 -2.209753
H -2.768694 3.921778 1.046771
H -1.703332 4.080677 -0.419987
H 5.877854 0.674590 -0.778249
H 6.004649 -0.506459 0.530152
H 5.625027 -1.045113 -1.108568
H -4.172046 3.804234 -1.115460
H -3.167635 2.453921 -1.667177
H -4.211160 2.255626 -0.253774


%chk=000202137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202137

0 1
O -2.646366 -3.614835 0.281977
O -1.191615 2.412116 0.722732
O -1.390649 1.415233 -1.379210
N -1.129246 -1.136130 0.090530
C -0.501537 0.121355 0.569523
C -0.578434 -2.330519 0.787830
C -2.614172 -1.129119 0.195610
C -1.177309 -3.609733 0.183677
C -3.181202 -2.426268 -0.402825
C 1.012166 0.134864 0.319588
C -1.089522 1.340956 -0.168226
C 1.911766 0.515611 1.340071
C 1.523608 -0.205161 -0.958481
C 3.303397 0.550409 1.091874
C 2.911361 -0.172024 -1.198870
C 3.827004 0.208550 -0.180005
C -1.644584 3.718710 0.147891
C 5.320002 0.256819 -0.456530
C -3.172875 3.810017 0.156985
H -0.681240 0.295039 1.658698
H -0.806083 -2.300819 1.883561
H 0.519038 -2.347374 0.667320
H -3.015624 -0.271715 -0.372859
H -2.947475 -1.038779 1.260256
H -0.873118 -3.692952 -0.882131
H -0.840848 -4.502434 0.736538
H -4.274876 -2.476966 -0.272405
H -2.929568 -2.470988 -1.484122
H 1.526102 0.785848 2.330657
H 0.820054 -0.497362 -1.745436
H 3.989701 0.843661 1.895503
H 3.294902 -0.439953 -2.191450
H -1.179208 4.466794 0.809271
H -1.241600 3.809135 -0.876147
H 5.567126 1.063456 -1.173071
H 5.897200 0.441018 0.465860
H 5.679629 -0.690494 -0.899256
H -3.489058 4.812652 -0.186032
H -3.612903 3.060001 -0.521332
H -3.570941 3.652184 1.174232


