%chk=000228117.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228117

0 1
O -1.048960 0.585300 2.421177
O -1.013581 1.155320 -2.176817
N -0.788054 1.136901 0.161619
C 0.247811 2.204703 0.329398
C 1.556474 1.794499 -0.372896
C 2.261374 0.636201 0.341308
C 3.578079 0.269585 -0.356567
C -0.291127 3.524332 -0.227152
C 4.286065 -0.888682 0.358674
C -1.345915 0.404110 1.268922
C -1.320514 0.704913 -1.103556
C -2.315957 -0.562957 0.650377
C -2.301356 -0.384781 -0.760853
C 5.602815 -1.258903 -0.338462
C -3.129998 -1.502459 1.244324
C -3.100898 -1.145775 -1.585027
C 6.312623 -2.410606 0.370016
C -3.952950 -2.286438 0.400290
C -3.938719 -2.112632 -0.978611
H 0.423010 2.304477 1.437249
H 2.229480 2.673013 -0.420367
H 1.350468 1.527128 -1.430734
H 2.456421 0.904310 1.398292
H 1.595796 -0.248251 0.375169
H 4.244630 1.152627 -0.393405
H 3.381206 -0.003108 -1.411623
H -1.235156 3.810603 0.250847
H -0.480547 3.460000 -1.309182
H 0.419379 4.342165 -0.065597
H 3.620872 -1.772657 0.396824
H 4.483770 -0.617458 1.413599
H 6.270007 -0.375634 -0.376021
H 5.405760 -1.533749 -1.393184
H -3.143820 -1.641434 2.325950
H -3.092407 -1.012195 -2.667426
H 7.249974 -2.668722 -0.135089
H 5.692442 -3.313841 0.392868
H 6.557949 -2.156175 1.407405
H -4.605486 -3.036734 0.849341
H -4.580060 -2.726496 -1.612882


%chk=000228117-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228117

0 1
O -1.136165 0.794050 2.461970
O -0.920523 1.045033 -2.243832
N -0.785649 1.190031 0.137145
C 0.200623 2.294240 0.281781
C 1.572149 1.912531 -0.335027
C 2.195989 0.634861 0.265524
C 3.602296 0.333539 -0.300458
C -0.367420 3.607650 -0.298892
C 4.224379 -0.959766 0.271571
C -1.373763 0.525508 1.257684
C -1.260538 0.658380 -1.096059
C -2.292076 -0.510340 0.684747
C -2.225205 -0.430918 -0.726393
C 5.634421 -1.259171 -0.287227
C -3.114924 -1.446096 1.328712
C -2.980060 -1.285003 -1.543824
C 6.246266 -2.557201 0.282421
C -3.883052 -2.316045 0.511139
C -3.816559 -2.236552 -0.903321
H 0.321996 2.401322 1.377796
H 2.252954 2.770357 -0.161616
H 1.463418 1.805176 -1.430875
H 2.254863 0.733195 1.369482
H 1.533309 -0.231709 0.065191
H 4.275623 1.190135 -0.086296
H 3.543116 0.253575 -1.406073
H -1.326256 3.869518 0.182506
H -0.528688 3.520441 -1.386663
H 0.344516 4.432600 -0.116955
H 3.555260 -1.817854 0.051027
H 4.277379 -0.884367 1.377957
H 6.303977 -0.403642 -0.062596
H 5.580292 -1.328709 -1.393062
H -3.156821 -1.497609 2.421171
H -2.920232 -1.214154 -2.634400
H 7.254599 -2.745798 -0.130166
H 5.613487 -3.432465 0.041836
H 6.336139 -2.502300 1.383864
H -4.537439 -3.060815 0.976722
H -4.420781 -2.921129 -1.508314


