%chk=000245047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245047

0 1
O 5.335998 -0.705028 -0.038947
O -1.137805 1.201955 2.092032
O -0.526545 2.589399 0.445125
N -5.363137 -0.381307 -0.331557
C 1.249244 -0.007460 0.110508
C -0.212111 0.182295 0.171651
C 1.822793 -1.206668 0.580213
C 2.069833 0.999870 -0.419693
C -1.086569 -0.680420 -0.365078
C -2.553323 -0.553421 -0.340566
C 4.001575 -0.378175 -0.030967
C 3.195159 -1.401684 0.514331
C 3.452278 0.823185 -0.499134
C -0.621431 1.452493 0.840915
C -3.254792 -0.432202 0.867255
C -3.272726 -0.588163 -1.546036
C -4.655708 -0.352116 0.827424
C -4.671839 -0.493872 -1.496313
C 6.271806 0.268030 -0.565420
H 1.183354 -1.982036 1.004955
H 1.621653 1.934153 -0.773067
H -0.721117 -1.571028 -0.894908
H 3.662386 -2.316681 0.872663
H 4.073942 1.609508 -0.914729
H -2.719072 -0.394355 1.817949
H -2.759412 -0.676666 -2.500422
H -5.244581 -0.260313 1.748006
H -5.274436 -0.509358 -2.412432
H 6.245516 1.183202 0.032991
H 6.064475 0.461971 -1.621591
H 7.229624 -0.255050 -0.442021
H -1.390034 2.038043 2.572962


%chk=000245047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245047

0 1
O 5.385118 -0.774858 -0.390594
O -0.608396 1.362101 2.274083
O -0.816582 2.633394 0.343610
N -5.523356 -0.542794 -0.311790
C 1.231430 0.008419 0.043018
C -0.228041 0.247397 0.170923
C 1.755112 -1.309410 -0.126171
C 2.157112 1.086124 0.086101
C -1.171985 -0.587529 -0.377667
C -2.639748 -0.532821 -0.306329
C 4.036049 -0.438878 -0.239798
C 3.131058 -1.532615 -0.269504
C 3.543916 0.877189 -0.054862
C -0.598380 1.525099 0.880138
C -3.393350 0.204937 0.653095
C -3.390735 -1.290892 -1.252106
C -4.801812 0.170951 0.606568
C -4.799511 -1.263010 -1.222172
C 6.368102 0.313328 -0.357414
H 1.078656 -2.170492 -0.109127
H 1.790646 2.112813 0.198226
H -0.784973 -1.411195 -0.993762
H 3.534999 -2.542393 -0.388493
H 4.220657 1.735914 -0.026953
H -2.903418 0.768990 1.450137
H -2.875207 -1.889475 -2.012012
H -5.393610 0.731571 1.339198
H -5.385612 -1.836621 -1.949105
H 6.348952 0.841442 0.615363
H 6.194437 1.035543 -1.178254
H 7.342390 -0.177444 -0.494409
H -0.788922 2.243317 2.706161


